REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1k1d_1_D DATA FIRST_RESID 1 DATA SEQUENCE MTKIIKNGTI VTATDTYEAH LLIKDGKIAM IGQNLEEKGA EVIDAKGCYV DATA SEQUENCE FPGGIDPHTH LDMPLGGTVT KDDFESGTIA AAFGGTTTII DFCLTNKGEP DATA SEQUENCE LKKAIETWHN KANGKAVIDY GFHLMISEIT DDVLEELPKV LEEEGITSLX DATA SEQUENCE VFMAYKNVFQ ADDGTLYCTL LAAKELGALV MVHAENGDVI DYLTKKALAD DATA SEQUENCE GNTDPIYHAL TRPPELEGEA TGRACQLTEL AGSQLYVVHV TCAQAVEKIA DATA SEQUENCE EARNKGLDVW GETCPQYLVL DQSYLEKPNF EGAKYVWSPP LREKWHQEVL DATA SEQUENCE WNALKNGQLQ TLGSDQCSFD FKGQKELGRG DFTKIPNGGP IIEDRVSILF DATA SEQUENCE SEGVKKGRIT LNQFVDIVST RIAKLFGLFP KKGTIVVGSD ADLVIFDPNI DATA SEQUENCE ERVISAETHH MAVDYNAFEG MKVTGEPVSV LCRGEFVVRD KQFVGKPGYG DATA SEQUENCE QYLKRAKYGT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.310 55.300 0.018 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 T N 3.287 117.850 114.554 0.015 0.000 2.939 2 T HA 0.112 4.462 4.350 -0.000 0.000 0.312 2 T C -0.006 174.707 174.700 0.021 0.000 1.064 2 T CA 0.501 62.610 62.100 0.015 0.000 1.136 2 T CB 0.323 69.198 68.868 0.012 0.000 1.035 2 T HN 0.471 nan 8.240 nan 0.000 0.538 3 K N 1.780 122.192 120.400 0.020 0.000 2.482 3 K HA 0.692 5.012 4.320 -0.000 0.000 0.257 3 K C -0.987 175.623 176.600 0.017 0.000 0.969 3 K CA -0.863 55.442 56.287 0.030 0.000 0.842 3 K CB 2.342 34.870 32.500 0.046 0.000 1.359 3 K HN 0.411 nan 8.250 nan 0.000 0.441 4 I N 2.686 123.266 120.570 0.017 0.000 2.534 4 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 4 I C -0.845 175.265 176.117 -0.012 0.000 1.094 4 I CA -0.591 60.711 61.300 0.003 0.000 1.055 4 I CB 1.627 39.621 38.000 -0.009 0.000 1.225 4 I HN 0.408 nan 8.210 nan 0.000 0.435 5 I N 7.247 127.814 120.570 -0.006 0.000 2.291 5 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 5 I C 0.143 176.245 176.117 -0.025 0.000 1.050 5 I CA -0.455 60.836 61.300 -0.015 0.000 1.245 5 I CB 0.593 38.583 38.000 -0.018 0.000 1.405 5 I HN 0.565 nan 8.210 nan 0.000 0.478 6 K N 5.151 125.472 120.400 -0.132 0.000 2.185 6 K HA 0.520 4.840 4.320 -0.000 0.000 0.240 6 K C 0.229 176.775 176.600 -0.091 0.000 0.983 6 K CA -0.776 55.312 56.287 -0.331 0.000 0.873 6 K CB 1.019 32.998 32.500 -0.868 0.000 1.118 6 K HN 0.420 nan 8.250 nan 0.000 0.441 7 N N -1.123 117.647 118.700 0.116 0.000 2.741 7 N HA -0.150 4.590 4.740 -0.000 0.000 0.251 7 N C -0.238 175.304 175.510 0.052 0.000 1.112 7 N CA 1.335 54.463 53.050 0.129 0.000 0.750 7 N CB -1.447 37.054 38.487 0.024 0.000 1.119 7 N HN 0.905 nan 8.380 nan 0.000 0.561 8 G N -0.813 108.017 108.800 0.051 0.000 2.491 8 G HA2 0.577 4.537 3.960 -0.000 0.000 0.327 8 G HA3 0.577 4.537 3.960 -0.000 0.000 0.327 8 G C -0.365 174.510 174.900 -0.042 0.000 1.189 8 G CA -0.130 44.958 45.100 -0.021 0.000 0.956 8 G HN 0.033 nan 8.290 nan 0.000 0.491 9 T N 1.474 115.999 114.554 -0.050 0.000 2.753 9 T HA 0.356 4.706 4.350 -0.000 0.000 0.297 9 T C 0.459 175.137 174.700 -0.036 0.000 0.981 9 T CA -0.027 62.065 62.100 -0.013 0.000 0.956 9 T CB 0.525 69.455 68.868 0.103 0.000 0.936 9 T HN 0.278 nan 8.240 nan 0.000 0.463 10 I N 3.387 123.801 120.570 -0.260 0.000 2.496 10 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 10 I C -0.208 175.819 176.117 -0.151 0.000 1.080 10 I CA -0.396 60.704 61.300 -0.333 0.000 1.404 10 I CB 0.882 38.392 38.000 -0.816 0.000 1.403 10 I HN 0.258 nan 8.210 nan 0.000 0.539 11 V N 5.343 125.274 119.914 0.028 0.000 2.398 11 V HA 0.235 4.355 4.120 -0.000 0.000 0.282 11 V C 0.314 176.547 176.094 0.230 0.000 1.014 11 V CA -0.628 61.769 62.300 0.163 0.000 0.838 11 V CB 1.291 33.241 31.823 0.212 0.000 1.018 11 V HN 0.913 nan 8.190 nan 0.000 0.432 12 T N 1.592 116.265 114.554 0.198 0.000 2.888 12 T HA 0.641 4.991 4.350 -0.000 0.000 0.283 12 T C 1.452 176.226 174.700 0.123 0.000 1.013 12 T CA 0.122 62.323 62.100 0.168 0.000 0.938 12 T CB 1.680 70.659 68.868 0.184 0.000 1.298 12 T HN 0.625 nan 8.240 nan 0.000 0.580 13 A N -0.375 122.498 122.820 0.088 0.000 2.172 13 A HA 0.160 4.480 4.320 -0.000 0.000 0.216 13 A C 2.013 179.632 177.584 0.059 0.000 1.154 13 A CA 1.512 53.578 52.037 0.047 0.000 0.701 13 A CB -1.159 17.851 19.000 0.018 0.000 0.789 13 A HN 0.865 nan 8.150 nan 0.000 0.465 14 T N -1.246 113.358 114.554 0.084 0.000 3.115 14 T HA 0.120 4.470 4.350 -0.000 0.000 0.256 14 T C 0.083 174.845 174.700 0.102 0.000 0.970 14 T CA -0.086 62.060 62.100 0.076 0.000 1.010 14 T CB 0.125 69.028 68.868 0.057 0.000 1.151 14 T HN 0.358 nan 8.240 nan 0.000 0.479 15 D N 2.145 122.634 120.400 0.148 0.000 2.277 15 D HA 0.527 5.167 4.640 -0.000 0.000 0.250 15 D C -0.688 175.781 176.300 0.282 0.000 1.032 15 D CA 0.138 54.265 54.000 0.212 0.000 0.947 15 D CB 1.648 42.587 40.800 0.231 0.000 1.159 15 D HN 0.077 nan 8.370 nan 0.000 0.460 16 T N 1.181 115.933 114.554 0.330 0.000 3.187 16 T HA 0.386 4.736 4.350 -0.000 0.000 0.328 16 T C -1.004 173.896 174.700 0.333 0.000 0.951 16 T CA -0.776 61.480 62.100 0.259 0.000 1.049 16 T CB 0.100 69.076 68.868 0.179 0.000 1.015 16 T HN 0.371 nan 8.240 nan 0.000 0.461 17 Y N -0.470 119.880 120.300 0.084 0.000 2.689 17 Y HA 0.801 5.351 4.550 -0.000 0.000 0.333 17 Y C -1.039 174.896 175.900 0.059 0.000 1.190 17 Y CA -1.721 56.415 58.100 0.061 0.000 1.063 17 Y CB 1.068 39.551 38.460 0.038 0.000 1.294 17 Y HN 0.297 nan 8.280 nan 0.000 0.466 18 E N 1.054 121.295 120.200 0.067 0.000 2.158 18 E HA 0.782 5.132 4.350 -0.000 0.000 0.271 18 E C -0.987 175.604 176.600 -0.014 0.000 0.911 18 E CA -0.914 55.468 56.400 -0.031 0.000 0.767 18 E CB 1.915 31.625 29.700 0.015 0.000 1.120 18 E HN 0.933 nan 8.360 nan 0.000 0.405 19 A N 2.761 125.521 122.820 -0.099 0.000 2.483 19 A HA 0.492 4.811 4.320 -0.000 0.000 0.294 19 A C -1.718 175.822 177.584 -0.074 0.000 1.077 19 A CA -0.901 51.050 52.037 -0.144 0.000 0.633 19 A CB 1.051 20.102 19.000 0.085 0.000 1.318 19 A HN 0.588 nan 8.150 nan 0.000 0.455 20 H N -0.422 118.664 119.070 0.027 0.000 2.573 20 H HA 0.713 5.269 4.556 -0.000 0.000 0.351 20 H C -0.962 174.377 175.328 0.018 0.000 1.163 20 H CA -0.895 55.158 56.048 0.009 0.000 1.205 20 H CB 1.190 30.960 29.762 0.012 0.000 1.605 20 H HN 0.520 nan 8.280 nan 0.000 0.525 21 L N 2.704 124.010 121.223 0.138 0.000 2.313 21 L HA 0.259 4.599 4.340 -0.000 0.000 0.283 21 L C -0.445 176.459 176.870 0.057 0.000 1.013 21 L CA -1.025 53.859 54.840 0.074 0.000 0.816 21 L CB 1.684 43.762 42.059 0.032 0.000 1.236 21 L HN 0.177 nan 8.230 nan 0.000 0.419 22 L N 5.512 126.764 121.223 0.049 0.000 2.264 22 L HA 0.497 4.837 4.340 -0.000 0.000 0.287 22 L C -0.347 176.531 176.870 0.014 0.000 1.039 22 L CA 0.138 54.998 54.840 0.033 0.000 0.829 22 L CB 0.594 42.675 42.059 0.036 0.000 1.211 22 L HN 0.371 nan 8.230 nan 0.000 0.427 23 I N 5.290 125.862 120.570 0.003 0.000 2.428 23 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 23 I C 0.361 176.476 176.117 -0.003 0.000 1.019 23 I CA -0.321 60.973 61.300 -0.009 0.000 1.351 23 I CB 1.316 39.300 38.000 -0.028 0.000 1.412 23 I HN 0.665 nan 8.210 nan 0.000 0.513 24 K N 3.056 123.453 120.400 -0.005 0.000 3.959 24 K HA 0.201 4.521 4.320 -0.000 0.000 0.251 24 K C 0.102 176.701 176.600 -0.001 0.000 1.293 24 K CA 0.063 56.350 56.287 -0.001 0.000 1.563 24 K CB -0.041 32.458 32.500 -0.002 0.000 2.393 24 K HN 0.413 nan 8.250 nan 0.000 0.488 25 D N 0.331 120.728 120.400 -0.005 0.000 2.841 25 D HA 0.214 4.854 4.640 -0.000 0.000 0.244 25 D C -0.003 176.293 176.300 -0.006 0.000 1.228 25 D CA 1.154 55.151 54.000 -0.005 0.000 0.872 25 D CB -0.335 40.458 40.800 -0.011 0.000 1.082 25 D HN 0.663 nan 8.370 nan 0.000 0.457 26 G N 0.510 109.309 108.800 -0.001 0.000 2.162 26 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 26 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 26 G C 0.392 175.281 174.900 -0.019 0.000 0.976 26 G CA 0.209 45.310 45.100 0.002 0.000 0.655 26 G HN 0.425 nan 8.290 nan 0.000 0.533 27 K N -0.752 119.633 120.400 -0.025 0.000 2.352 27 K HA 0.709 5.029 4.320 -0.000 0.000 0.240 27 K C -0.021 176.562 176.600 -0.029 0.000 1.017 27 K CA -1.226 55.040 56.287 -0.036 0.000 0.851 27 K CB 1.810 34.285 32.500 -0.041 0.000 1.261 27 K HN 0.074 nan 8.250 nan 0.000 0.451 28 I N 2.322 122.873 120.570 -0.032 0.000 2.363 28 I HA -0.000 4.170 4.170 -0.000 0.000 0.292 28 I C 1.001 177.110 176.117 -0.012 0.000 1.075 28 I CA 0.079 61.368 61.300 -0.018 0.000 1.333 28 I CB 1.179 39.171 38.000 -0.014 0.000 1.415 28 I HN 0.831 nan 8.210 nan 0.000 0.502 29 A N 7.984 130.802 122.820 -0.003 0.000 1.874 29 A HA 0.155 4.475 4.320 -0.000 0.000 0.214 29 A C 0.780 178.369 177.584 0.007 0.000 1.189 29 A CA 0.953 52.990 52.037 -0.000 0.000 0.615 29 A CB 0.148 19.150 19.000 0.003 0.000 0.830 29 A HN 0.784 nan 8.150 nan 0.000 0.443 30 M N -2.461 117.150 119.600 0.018 0.000 2.643 30 M HA 0.683 5.163 4.480 -0.000 0.000 0.276 30 M C -2.010 174.318 176.300 0.046 0.000 1.200 30 M CA -0.523 54.794 55.300 0.027 0.000 0.863 30 M CB 1.521 34.135 32.600 0.023 0.000 1.711 30 M HN -0.041 nan 8.290 nan 0.000 0.492 31 I N 0.883 121.486 120.570 0.056 0.000 2.569 31 I HA 0.991 5.161 4.170 -0.000 0.000 0.296 31 I C 0.170 176.328 176.117 0.068 0.000 1.028 31 I CA -0.592 60.760 61.300 0.088 0.000 1.082 31 I CB 2.193 40.279 38.000 0.143 0.000 1.264 31 I HN 1.047 nan 8.210 nan 0.000 0.429 32 G N 4.189 113.023 108.800 0.056 0.000 2.320 32 G HA2 0.320 4.280 3.960 -0.000 0.000 0.296 32 G HA3 0.320 4.280 3.960 -0.000 0.000 0.296 32 G C -2.179 172.654 174.900 -0.112 0.000 1.306 32 G CA -0.795 44.307 45.100 0.004 0.000 0.836 32 G HN 0.577 nan 8.290 nan 0.000 0.517 33 Q N -0.294 119.414 119.800 -0.154 0.000 2.257 33 Q HA 0.590 4.930 4.340 -0.000 0.000 0.262 33 Q C -0.324 175.608 176.000 -0.114 0.000 0.997 33 Q CA -0.945 54.644 55.803 -0.356 0.000 0.873 33 Q CB 1.529 30.132 28.738 -0.225 0.000 1.312 33 Q HN 0.516 nan 8.270 nan 0.000 0.450 34 N N 0.749 119.466 118.700 0.030 0.000 2.714 34 N HA -0.165 4.575 4.740 -0.000 0.000 0.253 34 N C -0.906 174.734 175.510 0.217 0.000 1.024 34 N CA 0.660 53.861 53.050 0.252 0.000 0.726 34 N CB -1.390 37.163 38.487 0.109 0.000 0.908 34 N HN 0.614 nan 8.380 nan 0.000 0.542 35 L N 0.244 121.676 121.223 0.349 0.000 2.436 35 L HA 0.312 4.652 4.340 -0.000 0.000 0.265 35 L C 0.846 177.774 176.870 0.097 0.000 1.168 35 L CA 0.322 55.265 54.840 0.172 0.000 0.815 35 L CB 0.613 42.778 42.059 0.176 0.000 1.109 35 L HN 0.144 nan 8.230 nan 0.000 0.462 36 E N 1.562 121.796 120.200 0.057 0.000 2.372 36 E HA 0.456 4.806 4.350 -0.000 0.000 0.279 36 E C -1.419 175.194 176.600 0.023 0.000 0.946 36 E CA -0.726 55.692 56.400 0.031 0.000 0.769 36 E CB 2.988 32.704 29.700 0.027 0.000 1.230 36 E HN 0.493 nan 8.360 nan 0.000 0.442 37 E N 2.365 122.573 120.200 0.014 0.000 2.883 37 E HA 0.040 4.390 4.350 -0.000 0.000 0.355 37 E C -1.496 175.107 176.600 0.006 0.000 0.939 37 E CA -0.373 56.034 56.400 0.011 0.000 0.783 37 E CB 1.209 30.917 29.700 0.013 0.000 1.361 37 E HN 0.356 nan 8.360 nan 0.000 0.413 38 K N 2.304 122.707 120.400 0.004 0.000 2.511 38 K HA 0.098 4.418 4.320 -0.000 0.000 0.277 38 K C 0.207 176.808 176.600 0.001 0.000 1.025 38 K CA 1.744 58.032 56.287 0.002 0.000 1.112 38 K CB 0.000 32.501 32.500 0.001 0.000 0.859 38 K HN 0.750 nan 8.250 nan 0.000 0.485 39 G N 2.669 111.469 108.800 -0.001 0.000 2.815 39 G HA2 0.005 3.965 3.960 -0.000 0.000 0.234 39 G HA3 0.005 3.965 3.960 -0.000 0.000 0.234 39 G C 0.124 175.025 174.900 0.003 0.000 0.971 39 G CA -0.125 44.975 45.100 -0.000 0.000 1.124 39 G HN 0.926 nan 8.290 nan 0.000 0.435 40 A N 1.861 124.682 122.820 0.003 0.000 2.709 40 A HA 0.671 4.991 4.320 -0.000 0.000 0.212 40 A C 1.149 178.741 177.584 0.014 0.000 1.280 40 A CA 1.409 53.451 52.037 0.009 0.000 1.034 40 A CB -0.121 18.883 19.000 0.006 0.000 1.255 40 A HN 2.064 nan 8.150 nan 0.000 0.547 41 E N -1.084 119.120 120.200 0.006 0.000 3.904 41 E HA -0.243 4.107 4.350 -0.000 0.000 0.316 41 E C -0.139 176.464 176.600 0.006 0.000 0.643 41 E CA 0.803 57.207 56.400 0.006 0.000 1.129 41 E CB -1.742 27.977 29.700 0.032 0.000 1.635 41 E HN 1.129 nan 8.360 nan 0.000 0.424 42 V N 1.335 121.251 119.914 0.003 0.000 5.604 42 V HA -0.268 3.852 4.120 -0.000 0.000 0.305 42 V C 0.471 176.561 176.094 -0.008 0.000 0.712 42 V CA 1.754 64.045 62.300 -0.015 0.000 1.117 42 V CB -0.947 30.853 31.823 -0.039 0.000 1.297 42 V HN 0.238 nan 8.190 nan 0.000 0.443 43 I N 3.416 123.999 120.570 0.021 0.000 2.396 43 I HA 0.407 4.577 4.170 -0.000 0.000 0.292 43 I C 0.318 176.430 176.117 -0.008 0.000 0.999 43 I CA -0.284 61.045 61.300 0.048 0.000 1.310 43 I CB 1.367 39.465 38.000 0.164 0.000 1.404 43 I HN 0.624 nan 8.210 nan 0.000 0.496 44 D N 4.354 124.745 120.400 -0.016 0.000 2.233 44 D HA 0.562 5.202 4.640 -0.000 0.000 0.240 44 D C 0.199 176.483 176.300 -0.026 0.000 1.074 44 D CA -0.289 53.687 54.000 -0.040 0.000 0.838 44 D CB 1.497 42.271 40.800 -0.043 0.000 1.124 44 D HN 0.640 nan 8.370 nan 0.000 0.475 45 A N 3.999 126.799 122.820 -0.034 0.000 2.564 45 A HA 0.166 4.486 4.320 -0.000 0.000 0.279 45 A C 0.505 178.059 177.584 -0.050 0.000 1.232 45 A CA -0.422 51.594 52.037 -0.035 0.000 0.950 45 A CB -0.167 18.814 19.000 -0.032 0.000 1.138 45 A HN 0.496 nan 8.150 nan 0.000 0.526 46 K N -0.053 120.320 120.400 -0.045 0.000 2.586 46 K HA 0.199 4.519 4.320 -0.000 0.000 0.280 46 K C 1.156 177.711 176.600 -0.076 0.000 0.972 46 K CA 0.960 57.218 56.287 -0.048 0.000 1.040 46 K CB 0.077 32.554 32.500 -0.038 0.000 0.870 46 K HN 0.826 nan 8.250 nan 0.000 0.497 47 G N 1.261 110.005 108.800 -0.094 0.000 2.305 47 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.287 47 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.287 47 G C -0.219 174.565 174.900 -0.193 0.000 1.036 47 G CA 0.170 45.188 45.100 -0.135 0.000 0.887 47 G HN 0.563 nan 8.290 nan 0.000 0.505 48 C N -1.655 117.518 119.300 -0.211 0.000 3.090 48 C HA 0.724 5.184 4.460 -0.000 0.000 0.305 48 C C -0.293 174.541 174.990 -0.260 0.000 1.292 48 C CA -1.448 57.428 59.018 -0.237 0.000 1.482 48 C CB 1.463 29.122 27.740 -0.134 0.000 1.897 48 C HN 0.350 nan 8.230 nan 0.000 0.469 49 Y N 0.539 120.708 120.300 -0.219 0.000 2.403 49 Y HA 0.615 5.165 4.550 -0.000 0.000 0.323 49 Y C 0.234 175.840 175.900 -0.490 0.000 1.226 49 Y CA -0.715 57.143 58.100 -0.403 0.000 1.235 49 Y CB 0.987 39.017 38.460 -0.716 0.000 1.248 49 Y HN 0.308 nan 8.280 nan 0.000 0.489 50 V N 4.235 123.988 119.914 -0.268 0.000 2.357 50 V HA 0.321 4.441 4.120 -0.000 0.000 0.281 50 V C -0.945 175.062 176.094 -0.145 0.000 1.015 50 V CA -0.897 61.282 62.300 -0.202 0.000 0.827 50 V CB -0.057 31.706 31.823 -0.100 0.000 1.018 50 V HN 0.416 nan 8.190 nan 0.000 0.432 51 F N 4.785 124.760 119.950 0.042 0.000 2.440 51 F HA 0.667 5.194 4.527 -0.000 0.000 0.328 51 F C -2.219 173.568 175.800 -0.022 0.000 1.070 51 F CA -3.190 54.811 58.000 0.001 0.000 1.011 51 F CB 0.868 39.855 39.000 -0.021 0.000 1.226 51 F HN 0.231 nan 8.300 nan 0.000 0.491 52 P HA 0.187 nan 4.420 nan 0.000 0.276 52 P C -0.086 177.242 177.300 0.045 0.000 1.230 52 P CA -0.270 62.875 63.100 0.075 0.000 0.776 52 P CB 0.570 32.298 31.700 0.047 0.000 0.888 53 G N 3.176 111.990 108.800 0.023 0.000 2.349 53 G HA2 0.240 4.200 3.960 -0.000 0.000 0.232 53 G HA3 0.240 4.200 3.960 -0.000 0.000 0.232 53 G C 0.628 175.509 174.900 -0.032 0.000 1.240 53 G CA -0.027 45.077 45.100 0.007 0.000 0.870 53 G HN 0.596 nan 8.290 nan 0.000 0.528 54 G N -0.196 108.576 108.800 -0.047 0.000 2.569 54 G HA2 0.481 4.441 3.960 -0.000 0.000 0.249 54 G HA3 0.481 4.441 3.960 -0.000 0.000 0.249 54 G C -0.199 174.663 174.900 -0.063 0.000 1.216 54 G CA -0.685 44.359 45.100 -0.093 0.000 0.845 54 G HN 0.695 nan 8.290 nan 0.000 0.568 55 I N 0.970 121.497 120.570 -0.072 0.000 2.418 55 I HA 0.191 4.361 4.170 -0.000 0.000 0.287 55 I C -1.041 175.044 176.117 -0.053 0.000 1.008 55 I CA -0.710 60.555 61.300 -0.058 0.000 1.104 55 I CB 2.212 40.181 38.000 -0.051 0.000 1.264 55 I HN 0.296 nan 8.210 nan 0.000 0.438 56 D N 9.146 129.515 120.400 -0.052 0.000 2.443 56 D HA 0.236 4.876 4.640 -0.000 0.000 0.221 56 D C -1.734 174.530 176.300 -0.060 0.000 1.097 56 D CA -1.919 52.063 54.000 -0.029 0.000 0.865 56 D CB 1.819 42.611 40.800 -0.014 0.000 1.034 56 D HN 0.270 nan 8.370 nan 0.000 0.511 57 P HA -0.032 nan 4.420 nan 0.000 0.249 57 P C -0.147 177.149 177.300 -0.007 0.000 1.229 57 P CA 0.266 63.233 63.100 -0.222 0.000 0.788 57 P CB 0.057 31.505 31.700 -0.419 0.000 1.072 58 H N -0.370 118.727 119.070 0.046 0.000 2.675 58 H HA 0.394 4.950 4.556 -0.000 0.000 0.258 58 H C -0.855 174.515 175.328 0.069 0.000 1.271 58 H CA -0.203 55.966 56.048 0.202 0.000 1.462 58 H CB 0.405 30.284 29.762 0.195 0.000 1.467 58 H HN -0.212 nan 8.280 nan 0.000 0.501 59 T N 3.282 117.976 114.554 0.234 0.000 2.876 59 T HA 0.254 4.604 4.350 -0.000 0.000 0.289 59 T C -0.894 173.777 174.700 -0.048 0.000 1.014 59 T CA -0.726 61.405 62.100 0.051 0.000 0.986 59 T CB 1.126 69.993 68.868 -0.003 0.000 1.021 59 T HN 0.552 nan 8.240 nan 0.000 0.458 60 H N 3.965 123.164 119.070 0.216 0.000 2.761 60 H HA 0.350 4.906 4.556 -0.000 0.000 0.263 60 H C 0.367 175.713 175.328 0.029 0.000 1.292 60 H CA -0.299 55.881 56.048 0.220 0.000 1.540 60 H CB 0.659 30.538 29.762 0.195 0.000 1.569 60 H HN 0.407 nan 8.280 nan 0.000 0.510 61 L N 0.296 121.524 121.223 0.009 0.000 2.129 61 L HA 0.040 4.380 4.340 -0.000 0.000 0.200 61 L C 1.616 178.455 176.870 -0.050 0.000 1.159 61 L CA 0.551 55.265 54.840 -0.209 0.000 0.795 61 L CB 0.032 41.600 42.059 -0.818 0.000 0.951 61 L HN 0.335 nan 8.230 nan 0.000 0.463 62 D N 1.033 121.470 120.400 0.062 0.000 2.323 62 D HA 0.052 4.692 4.640 -0.000 0.000 0.239 62 D C 0.539 176.833 176.300 -0.010 0.000 1.129 62 D CA -0.044 53.971 54.000 0.024 0.000 0.865 62 D CB 0.068 40.866 40.800 -0.003 0.000 0.913 62 D HN 0.140 nan 8.370 nan 0.000 0.517 63 M N 0.217 119.888 119.600 0.119 0.000 2.245 63 M HA 0.317 4.797 4.480 -0.000 0.000 0.344 63 M C -2.699 173.701 176.300 0.168 0.000 1.170 63 M CA -0.836 54.597 55.300 0.223 0.000 1.135 63 M CB 1.050 33.880 32.600 0.384 0.000 1.574 63 M HN -0.341 nan 8.290 nan 0.000 0.452 64 P HA 0.352 nan 4.420 nan 0.000 0.300 64 P C -1.442 175.970 177.300 0.187 0.000 1.375 64 P CA -0.295 62.907 63.100 0.169 0.000 0.864 64 P CB 1.182 32.949 31.700 0.112 0.000 0.958 65 L N 3.889 125.250 121.223 0.230 0.000 2.599 65 L HA 0.715 5.055 4.340 -0.000 0.000 0.241 65 L C 0.519 177.389 176.870 0.001 0.000 1.207 65 L CA 0.510 55.432 54.840 0.138 0.000 0.987 65 L CB -0.290 41.901 42.059 0.220 0.000 1.318 65 L HN 0.718 nan 8.230 nan 0.000 0.458 66 G N 0.981 109.781 108.800 -0.001 0.000 2.265 66 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.246 66 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.246 66 G C 0.449 175.339 174.900 -0.017 0.000 1.299 66 G CA -0.306 44.769 45.100 -0.042 0.000 1.117 66 G HN 0.522 nan 8.290 nan 0.000 0.485 67 G N -0.494 108.289 108.800 -0.028 0.000 2.848 67 G HA2 0.423 4.383 3.960 -0.000 0.000 0.208 67 G HA3 0.423 4.383 3.960 -0.000 0.000 0.208 67 G C 0.762 175.666 174.900 0.007 0.000 1.152 67 G CA 2.213 47.304 45.100 -0.014 0.000 0.789 67 G HN 1.158 nan 8.290 nan 0.000 0.531 68 T N -0.947 113.618 114.554 0.018 0.000 2.938 68 T HA 0.620 4.970 4.350 -0.000 0.000 0.285 68 T C -0.898 173.888 174.700 0.143 0.000 1.028 68 T CA -0.487 61.654 62.100 0.067 0.000 1.005 68 T CB 1.937 70.840 68.868 0.059 0.000 1.157 68 T HN -0.112 nan 8.240 nan 0.000 0.550 69 V N 1.382 121.412 119.914 0.193 0.000 2.962 69 V HA 0.428 4.548 4.120 -0.000 0.000 0.313 69 V C 0.200 176.434 176.094 0.234 0.000 1.099 69 V CA -1.024 61.400 62.300 0.206 0.000 0.971 69 V CB 2.136 34.016 31.823 0.094 0.000 1.028 69 V HN 1.082 nan 8.190 nan 0.000 0.430 70 T N 2.495 117.096 114.554 0.080 0.000 2.923 70 T HA -0.051 4.299 4.350 -0.000 0.000 0.304 70 T C 1.131 175.770 174.700 -0.102 0.000 1.044 70 T CA 0.434 62.389 62.100 -0.242 0.000 1.141 70 T CB 0.271 68.979 68.868 -0.266 0.000 1.023 70 T HN 0.767 nan 8.240 nan 0.000 0.533 71 K N 2.229 122.560 120.400 -0.115 0.000 2.097 71 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 71 K C 0.433 176.995 176.600 -0.063 0.000 1.049 71 K CA 1.347 57.616 56.287 -0.029 0.000 0.933 71 K CB 0.097 32.600 32.500 0.005 0.000 0.717 71 K HN 0.578 nan 8.250 nan 0.000 0.442 72 D N 1.791 122.118 120.400 -0.121 0.000 2.249 72 D HA 0.020 4.660 4.640 -0.000 0.000 0.246 72 D C -0.388 175.849 176.300 -0.104 0.000 1.114 72 D CA -0.166 53.765 54.000 -0.116 0.000 0.854 72 D CB 1.053 41.761 40.800 -0.154 0.000 1.132 72 D HN 0.384 nan 8.370 nan 0.000 0.461 73 D N 0.918 121.279 120.400 -0.064 0.000 2.539 73 D HA 0.053 4.693 4.640 -0.000 0.000 0.276 73 D C 0.991 177.270 176.300 -0.035 0.000 1.206 73 D CA -0.592 53.396 54.000 -0.020 0.000 1.081 73 D CB 0.320 41.134 40.800 0.023 0.000 1.142 73 D HN 0.127 nan 8.370 nan 0.000 0.595 74 F N -0.203 119.696 119.950 -0.085 0.000 2.333 74 F HA -0.065 4.462 4.527 -0.000 0.000 0.300 74 F C 2.474 178.223 175.800 -0.084 0.000 1.083 74 F CA 1.112 59.055 58.000 -0.096 0.000 1.395 74 F CB -0.016 38.898 39.000 -0.144 0.000 1.056 74 F HN 0.475 nan 8.300 nan 0.000 0.529 75 E N -0.175 120.076 120.200 0.084 0.000 2.030 75 E HA -0.154 4.196 4.350 -0.000 0.000 0.189 75 E C 2.433 179.022 176.600 -0.019 0.000 0.974 75 E CA 1.206 57.629 56.400 0.038 0.000 0.807 75 E CB -0.079 29.641 29.700 0.034 0.000 0.771 75 E HN 0.349 nan 8.360 nan 0.000 0.451 76 S N 0.061 115.737 115.700 -0.039 0.000 2.356 76 S HA -0.109 4.361 4.470 -0.000 0.000 0.223 76 S C 2.228 176.782 174.600 -0.078 0.000 1.032 76 S CA 1.254 59.414 58.200 -0.067 0.000 1.005 76 S CB -1.079 62.082 63.200 -0.065 0.000 0.867 76 S HN 0.370 nan 8.310 nan 0.000 0.449 77 G N 1.354 110.094 108.800 -0.101 0.000 2.442 77 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 77 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 77 G C 1.488 176.334 174.900 -0.089 0.000 1.141 77 G CA 1.529 46.553 45.100 -0.126 0.000 0.763 77 G HN 0.571 nan 8.290 nan 0.000 0.554 78 T N 1.316 115.830 114.554 -0.068 0.000 2.708 78 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 78 T C 2.394 177.102 174.700 0.012 0.000 1.037 78 T CA 1.071 63.164 62.100 -0.012 0.000 1.146 78 T CB -0.161 68.729 68.868 0.038 0.000 0.865 78 T HN 0.272 nan 8.240 nan 0.000 0.435 79 I N 1.404 121.961 120.570 -0.021 0.000 2.179 79 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 79 I C 2.969 179.152 176.117 0.110 0.000 1.088 79 I CA 1.109 62.388 61.300 -0.036 0.000 1.357 79 I CB -0.625 37.235 38.000 -0.233 0.000 1.051 79 I HN 0.196 nan 8.210 nan 0.000 0.409 80 A N 1.097 123.954 122.820 0.063 0.000 1.859 80 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 80 A C 2.584 180.227 177.584 0.097 0.000 1.198 80 A CA 2.429 54.515 52.037 0.081 0.000 0.629 80 A CB -1.178 17.811 19.000 -0.018 0.000 0.830 80 A HN 0.446 nan 8.150 nan 0.000 0.446 81 A N -0.398 122.447 122.820 0.042 0.000 1.948 81 A HA 0.052 4.372 4.320 -0.000 0.000 0.220 81 A C 2.518 180.138 177.584 0.060 0.000 1.177 81 A CA 2.568 54.630 52.037 0.041 0.000 0.636 81 A CB -1.127 17.878 19.000 0.008 0.000 0.815 81 A HN 1.252 nan 8.150 nan 0.000 0.449 82 A N -1.247 121.604 122.820 0.052 0.000 1.883 82 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 82 A C 1.996 179.555 177.584 -0.042 0.000 1.186 82 A CA 1.614 53.653 52.037 0.003 0.000 0.624 82 A CB -0.780 18.213 19.000 -0.012 0.000 0.822 82 A HN 0.500 nan 8.150 nan 0.000 0.444 83 F N 0.185 120.102 119.950 -0.056 0.000 2.186 83 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 83 F C 2.525 178.325 175.800 -0.001 0.000 1.090 83 F CA 1.130 59.062 58.000 -0.113 0.000 1.307 83 F CB -0.398 38.327 39.000 -0.459 0.000 1.019 83 F HN 0.310 nan 8.300 nan 0.000 0.489 84 G N -1.124 107.798 108.800 0.203 0.000 2.776 84 G HA2 0.232 4.192 3.960 -0.000 0.000 0.209 84 G HA3 0.232 4.192 3.960 -0.000 0.000 0.209 84 G C 1.500 176.504 174.900 0.172 0.000 1.145 84 G CA 0.553 45.764 45.100 0.186 0.000 0.791 84 G HN 0.646 nan 8.290 nan 0.000 0.530 85 G N -1.395 107.490 108.800 0.143 0.000 2.157 85 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.239 85 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.239 85 G C 0.265 175.202 174.900 0.062 0.000 0.982 85 G CA 0.308 45.486 45.100 0.129 0.000 0.650 85 G HN 0.598 nan 8.290 nan 0.000 0.527 86 T N 1.086 115.667 114.554 0.045 0.000 2.767 86 T HA 0.541 4.891 4.350 -0.000 0.000 0.284 86 T C 1.277 175.987 174.700 0.017 0.000 0.973 86 T CA 0.506 62.615 62.100 0.014 0.000 0.996 86 T CB 1.450 70.323 68.868 0.009 0.000 0.927 86 T HN 0.668 nan 8.240 nan 0.000 0.456 87 T N -0.763 113.795 114.554 0.007 0.000 3.044 87 T HA 0.289 4.639 4.350 -0.000 0.000 0.260 87 T C 0.361 175.070 174.700 0.014 0.000 1.019 87 T CA -0.280 61.831 62.100 0.019 0.000 0.921 87 T CB 0.276 69.152 68.868 0.012 0.000 1.053 87 T HN 0.496 nan 8.240 nan 0.000 0.533 88 T N 2.603 117.153 114.554 -0.007 0.000 3.172 88 T HA 0.615 4.965 4.350 -0.000 0.000 0.320 88 T C -0.892 173.784 174.700 -0.040 0.000 1.085 88 T CA -0.836 61.248 62.100 -0.026 0.000 1.052 88 T CB 1.719 70.547 68.868 -0.067 0.000 1.107 88 T HN 0.534 nan 8.240 nan 0.000 0.458 89 I N 0.020 120.576 120.570 -0.023 0.000 2.892 89 I HA 0.798 4.968 4.170 -0.000 0.000 0.306 89 I C -1.345 174.710 176.117 -0.104 0.000 1.078 89 I CA -1.488 59.782 61.300 -0.049 0.000 1.032 89 I CB 2.047 40.035 38.000 -0.020 0.000 1.229 89 I HN 0.591 nan 8.210 nan 0.000 0.435 90 I N 3.765 124.221 120.570 -0.190 0.000 2.466 90 I HA 0.309 4.479 4.170 -0.000 0.000 0.279 90 I C -0.754 175.201 176.117 -0.269 0.000 1.033 90 I CA -0.345 60.723 61.300 -0.388 0.000 1.123 90 I CB 1.168 38.706 38.000 -0.770 0.000 1.237 90 I HN 0.645 nan 8.210 nan 0.000 0.460 91 D N 5.043 125.462 120.400 0.032 0.000 2.283 91 D HA 0.249 4.889 4.640 -0.000 0.000 0.248 91 D C -0.890 175.550 176.300 0.234 0.000 1.072 91 D CA -0.221 53.947 54.000 0.281 0.000 0.929 91 D CB 1.319 42.514 40.800 0.659 0.000 1.182 91 D HN 0.139 nan 8.370 nan 0.000 0.433 92 F N 2.218 122.327 119.950 0.265 0.000 2.405 92 F HA 0.135 4.662 4.527 -0.000 0.000 0.358 92 F C 0.819 176.524 175.800 -0.158 0.000 1.151 92 F CA -0.686 57.413 58.000 0.165 0.000 1.161 92 F CB 0.527 39.668 39.000 0.235 0.000 1.245 92 F HN 0.183 nan 8.300 nan 0.000 0.545 93 C N 7.579 126.547 119.300 -0.554 0.000 2.520 93 C HA 0.411 4.871 4.460 -0.000 0.000 0.369 93 C C 0.484 174.876 174.990 -0.997 0.000 1.244 93 C CA -0.958 57.005 59.018 -1.758 0.000 1.677 93 C CB -1.776 25.148 27.740 -1.360 0.000 2.324 93 C HN 0.672 nan 8.230 nan 0.000 0.557 94 L N 6.097 126.651 121.223 -1.116 0.000 2.452 94 L HA 0.369 4.709 4.340 -0.000 0.000 0.267 94 L C 0.880 177.673 176.870 -0.129 0.000 1.188 94 L CA 0.421 55.126 54.840 -0.225 0.000 0.821 94 L CB 0.707 42.871 42.059 0.176 0.000 1.102 94 L HN 0.618 nan 8.230 nan 0.000 0.470 95 T N 1.208 115.786 114.554 0.040 0.000 2.893 95 T HA 0.387 4.737 4.350 -0.000 0.000 0.291 95 T C -0.600 174.126 174.700 0.045 0.000 1.028 95 T CA -0.784 61.338 62.100 0.037 0.000 0.995 95 T CB 1.498 70.392 68.868 0.042 0.000 1.051 95 T HN 0.455 nan 8.240 nan 0.000 0.470 96 N N 1.842 120.560 118.700 0.029 0.000 2.361 96 N HA 0.330 5.070 4.740 -0.000 0.000 0.302 96 N C -0.505 175.011 175.510 0.009 0.000 1.074 96 N CA -0.718 52.335 53.050 0.004 0.000 0.850 96 N CB 1.898 40.388 38.487 0.005 0.000 1.228 96 N HN 0.444 nan 8.380 nan 0.000 0.491 97 K N 0.129 120.529 120.400 -0.001 0.000 2.414 97 K HA 0.154 4.474 4.320 -0.000 0.000 0.272 97 K C 1.115 177.720 176.600 0.009 0.000 0.993 97 K CA 0.539 56.831 56.287 0.009 0.000 0.964 97 K CB 0.315 32.817 32.500 0.004 0.000 0.925 97 K HN 0.802 nan 8.250 nan 0.000 0.487 98 G N 1.340 110.148 108.800 0.014 0.000 2.412 98 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.252 98 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.252 98 G C 0.157 175.065 174.900 0.014 0.000 1.038 98 G CA 0.630 45.737 45.100 0.013 0.000 0.628 98 G HN 0.682 nan 8.290 nan 0.000 0.531 99 E N 2.620 122.829 120.200 0.015 0.000 2.289 99 E HA 0.430 4.780 4.350 -0.000 0.000 0.278 99 E C -1.845 174.768 176.600 0.021 0.000 1.032 99 E CA -1.923 54.488 56.400 0.018 0.000 0.854 99 E CB 0.942 30.654 29.700 0.020 0.000 1.046 99 E HN 0.260 nan 8.360 nan 0.000 0.409 100 P HA -0.071 nan 4.420 nan 0.000 0.264 100 P C 0.783 178.097 177.300 0.023 0.000 1.193 100 P CA 0.310 63.423 63.100 0.021 0.000 0.763 100 P CB 0.768 32.480 31.700 0.019 0.000 0.810 101 L N 2.702 123.938 121.223 0.021 0.000 2.081 101 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 101 L C 2.295 179.177 176.870 0.019 0.000 1.080 101 L CA 1.844 56.694 54.840 0.018 0.000 0.754 101 L CB -0.807 41.263 42.059 0.018 0.000 0.893 101 L HN 0.433 nan 8.230 nan 0.000 0.433 102 K N -0.210 120.205 120.400 0.026 0.000 2.442 102 K HA -0.168 4.152 4.320 -0.000 0.000 0.198 102 K C 1.951 178.574 176.600 0.038 0.000 1.042 102 K CA 0.570 56.876 56.287 0.033 0.000 0.958 102 K CB 0.004 32.521 32.500 0.028 0.000 0.766 102 K HN 0.070 nan 8.250 nan 0.000 0.474 103 K N 1.826 122.248 120.400 0.036 0.000 1.984 103 K HA -0.073 4.247 4.320 -0.000 0.000 0.209 103 K C 2.010 178.649 176.600 0.064 0.000 1.046 103 K CA 1.577 57.890 56.287 0.043 0.000 0.934 103 K CB -0.508 32.015 32.500 0.039 0.000 0.717 103 K HN 0.064 nan 8.250 nan 0.000 0.438 104 A N 0.950 123.808 122.820 0.063 0.000 1.883 104 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 104 A C 2.302 179.937 177.584 0.083 0.000 1.186 104 A CA 1.992 54.087 52.037 0.095 0.000 0.624 104 A CB -0.902 18.110 19.000 0.019 0.000 0.822 104 A HN 0.392 nan 8.150 nan 0.000 0.444 105 I N -0.693 119.881 120.570 0.007 0.000 2.248 105 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 105 I C 2.461 178.633 176.117 0.092 0.000 1.107 105 I CA 1.919 63.206 61.300 -0.022 0.000 1.373 105 I CB -0.438 37.586 38.000 0.041 0.000 1.055 105 I HN 0.448 nan 8.210 nan 0.000 0.418 106 E N -0.001 120.275 120.200 0.126 0.000 2.158 106 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 106 E C 2.097 178.762 176.600 0.109 0.000 0.982 106 E CA 1.291 57.778 56.400 0.145 0.000 0.823 106 E CB 0.041 29.786 29.700 0.074 0.000 0.766 106 E HN 0.381 nan 8.360 nan 0.000 0.468 107 T N 0.236 114.852 114.554 0.104 0.000 2.684 107 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 107 T C 1.260 175.951 174.700 -0.014 0.000 1.036 107 T CA 0.928 63.070 62.100 0.069 0.000 1.148 107 T CB -0.242 68.718 68.868 0.153 0.000 0.863 107 T HN 0.368 nan 8.240 nan 0.000 0.436 108 W N 1.135 122.283 121.300 -0.254 0.000 2.379 108 W HA -0.116 4.544 4.660 -0.000 0.000 0.307 108 W C 2.532 178.818 176.519 -0.388 0.000 1.200 108 W CA 0.985 58.048 57.345 -0.469 0.000 1.297 108 W CB -0.500 28.373 29.460 -0.978 0.000 1.140 108 W HN 0.414 nan 8.180 nan 0.000 0.507 109 H N 0.165 119.231 119.070 -0.007 0.000 2.426 109 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 109 H C 1.789 177.099 175.328 -0.030 0.000 1.107 109 H CA 1.474 57.587 56.048 0.108 0.000 1.298 109 H CB -0.401 29.385 29.762 0.040 0.000 1.377 109 H HN 0.212 nan 8.280 nan 0.000 0.519 110 N N 0.935 119.645 118.700 0.017 0.000 2.171 110 N HA -0.095 4.645 4.740 -0.000 0.000 0.184 110 N C 1.913 177.319 175.510 -0.173 0.000 1.021 110 N CA 0.633 53.649 53.050 -0.057 0.000 0.854 110 N CB -0.132 38.322 38.487 -0.056 0.000 0.994 110 N HN 0.378 nan 8.380 nan 0.000 0.426 111 K N 0.843 121.049 120.400 -0.324 0.000 2.074 111 K HA -0.067 4.253 4.320 -0.000 0.000 0.209 111 K C 1.983 178.223 176.600 -0.601 0.000 1.048 111 K CA 1.505 57.521 56.287 -0.451 0.000 0.926 111 K CB -0.066 32.027 32.500 -0.679 0.000 0.713 111 K HN 0.146 nan 8.250 nan 0.000 0.444 112 A N 1.290 123.611 122.820 -0.833 0.000 1.903 112 A HA -0.039 4.281 4.320 -0.000 0.000 0.213 112 A C 0.695 178.094 177.584 -0.308 0.000 1.185 112 A CA 0.071 51.577 52.037 -0.886 0.000 0.628 112 A CB -0.299 18.075 19.000 -1.044 0.000 0.830 112 A HN 0.226 nan 8.150 nan 0.000 0.446 113 N N 0.719 119.363 118.700 -0.095 0.000 2.034 113 N HA -0.028 4.712 4.740 -0.000 0.000 0.293 113 N C 1.209 176.728 175.510 0.016 0.000 1.336 113 N CA 1.490 54.557 53.050 0.029 0.000 0.819 113 N CB -0.050 38.457 38.487 0.033 0.000 1.071 113 N HN 0.761 nan 8.380 nan 0.000 0.495 114 G N 2.610 111.447 108.800 0.062 0.000 2.186 114 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.266 114 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.266 114 G C 0.947 175.884 174.900 0.063 0.000 0.982 114 G CA 1.017 46.157 45.100 0.065 0.000 0.670 114 G HN 0.665 nan 8.290 nan 0.000 0.533 115 K N -0.309 120.114 120.400 0.038 0.000 2.391 115 K HA 0.530 4.850 4.320 -0.000 0.000 0.197 115 K C 1.314 177.961 176.600 0.079 0.000 1.087 115 K CA 0.425 56.745 56.287 0.056 0.000 1.012 115 K CB 0.852 33.376 32.500 0.041 0.000 0.925 115 K HN 0.499 nan 8.250 nan 0.000 0.547 116 A N 1.352 124.203 122.820 0.051 0.000 2.450 116 A HA 0.180 4.500 4.320 -0.000 0.000 0.255 116 A C 1.148 178.841 177.584 0.182 0.000 1.096 116 A CA -0.230 51.854 52.037 0.079 0.000 0.778 116 A CB 0.466 19.448 19.000 -0.030 0.000 1.031 116 A HN -0.010 nan 8.150 nan 0.000 0.494 117 V N 3.145 123.178 119.914 0.198 0.000 3.174 117 V HA 0.077 4.197 4.120 -0.000 0.000 0.254 117 V C 0.849 177.136 176.094 0.322 0.000 1.120 117 V CA 1.520 63.989 62.300 0.282 0.000 1.114 117 V CB -1.245 30.745 31.823 0.280 0.000 0.756 117 V HN 0.804 nan 8.190 nan 0.000 0.467 118 I N -3.865 116.852 120.570 0.245 0.000 3.206 118 I HA 0.650 4.820 4.170 -0.000 0.000 0.313 118 I C -1.020 175.231 176.117 0.224 0.000 1.103 118 I CA -1.104 60.327 61.300 0.218 0.000 0.985 118 I CB 1.514 39.600 38.000 0.143 0.000 1.240 118 I HN -0.182 nan 8.210 nan 0.000 0.464 119 D N 1.111 121.589 120.400 0.130 0.000 2.360 119 D HA 0.422 5.062 4.640 -0.000 0.000 0.242 119 D C -0.973 175.422 176.300 0.158 0.000 1.184 119 D CA 0.789 54.836 54.000 0.079 0.000 0.930 119 D CB 0.803 41.540 40.800 -0.105 0.000 1.161 119 D HN 0.604 nan 8.370 nan 0.000 0.447 120 Y N -2.669 117.542 120.300 -0.147 0.000 2.689 120 Y HA 0.684 5.234 4.550 -0.000 0.000 0.333 120 Y C -0.368 175.267 175.900 -0.441 0.000 1.208 120 Y CA -1.295 56.684 58.100 -0.201 0.000 1.055 120 Y CB 1.030 39.469 38.460 -0.034 0.000 1.304 120 Y HN 0.446 nan 8.280 nan 0.000 0.455 121 G N 0.143 108.658 108.800 -0.475 0.000 2.788 121 G HA2 0.722 4.682 3.960 -0.000 0.000 0.293 121 G HA3 0.722 4.682 3.960 -0.000 0.000 0.293 121 G C -2.380 172.153 174.900 -0.610 0.000 1.392 121 G CA -1.028 43.618 45.100 -0.757 0.000 0.810 121 G HN 0.447 nan 8.290 nan 0.000 0.508 122 F N -0.923 118.937 119.950 -0.149 0.000 2.620 122 F HA 0.592 5.119 4.527 0.000 0.000 0.320 122 F C -0.155 175.376 175.800 -0.450 0.000 1.069 122 F CA -1.013 56.852 58.000 -0.225 0.000 0.953 122 F CB 2.253 41.224 39.000 -0.048 0.000 1.322 122 F HN 0.242 nan 8.300 nan 0.000 0.479 123 H N 1.416 120.415 119.070 -0.119 0.000 2.524 123 H HA 0.507 5.063 4.556 -0.000 0.000 0.353 123 H C -1.284 173.953 175.328 -0.152 0.000 1.136 123 H CA -0.792 55.083 56.048 -0.290 0.000 1.193 123 H CB 2.578 31.854 29.762 -0.811 0.000 1.558 123 H HN 0.403 nan 8.280 nan 0.000 0.515 124 L N 3.485 124.736 121.223 0.047 0.000 2.272 124 L HA 0.301 4.641 4.340 -0.000 0.000 0.289 124 L C 0.089 177.000 176.870 0.069 0.000 1.032 124 L CA -0.306 54.538 54.840 0.007 0.000 0.810 124 L CB 0.889 42.954 42.059 0.011 0.000 1.205 124 L HN 0.605 nan 8.230 nan 0.000 0.422 125 M N 5.491 125.141 119.600 0.082 0.000 2.242 125 M HA 0.391 4.871 4.480 -0.000 0.000 0.344 125 M C -1.222 175.168 176.300 0.150 0.000 1.140 125 M CA 0.225 55.642 55.300 0.194 0.000 1.160 125 M CB 0.528 33.301 32.600 0.288 0.000 1.491 125 M HN 0.605 nan 8.290 nan 0.000 0.459 126 I N 3.523 124.202 120.570 0.182 0.000 2.468 126 I HA 0.175 4.345 4.170 -0.000 0.000 0.285 126 I C 0.237 176.461 176.117 0.178 0.000 1.039 126 I CA -0.281 61.102 61.300 0.139 0.000 1.074 126 I CB 2.234 40.290 38.000 0.094 0.000 1.228 126 I HN 0.865 nan 8.210 nan 0.000 0.436 127 S N 3.243 119.032 115.700 0.149 0.000 2.540 127 S HA 0.296 4.766 4.470 -0.000 0.000 0.222 127 S C 0.062 174.723 174.600 0.102 0.000 1.008 127 S CA -0.310 57.978 58.200 0.146 0.000 0.939 127 S CB 0.082 63.352 63.200 0.117 0.000 0.865 127 S HN 0.764 nan 8.310 nan 0.000 0.499 128 E N 0.821 121.071 120.200 0.083 0.000 2.388 128 E HA 0.462 4.812 4.350 -0.000 0.000 0.282 128 E C -1.291 175.343 176.600 0.056 0.000 1.026 128 E CA -1.231 55.208 56.400 0.066 0.000 0.820 128 E CB 0.756 30.487 29.700 0.052 0.000 1.226 128 E HN 0.318 nan 8.360 nan 0.000 0.432 129 I N -0.257 120.344 120.570 0.052 0.000 2.388 129 I HA 0.483 4.653 4.170 -0.000 0.000 0.281 129 I C -0.718 175.422 176.117 0.038 0.000 1.046 129 I CA -0.351 60.975 61.300 0.043 0.000 1.187 129 I CB 1.314 39.341 38.000 0.044 0.000 1.351 129 I HN 0.359 nan 8.210 nan 0.000 0.472 130 T N 2.891 117.465 114.554 0.033 0.000 2.944 130 T HA 0.240 4.590 4.350 -0.000 0.000 0.284 130 T C 0.828 175.543 174.700 0.025 0.000 1.010 130 T CA -0.431 61.685 62.100 0.028 0.000 1.025 130 T CB 1.780 70.663 68.868 0.025 0.000 1.079 130 T HN 0.508 nan 8.240 nan 0.000 0.516 131 D N 1.001 121.414 120.400 0.022 0.000 2.144 131 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 131 D C 1.343 177.654 176.300 0.018 0.000 0.984 131 D CA 1.213 55.224 54.000 0.020 0.000 0.834 131 D CB 0.094 40.905 40.800 0.018 0.000 0.955 131 D HN 0.528 nan 8.370 nan 0.000 0.465 132 D N 0.649 121.060 120.400 0.019 0.000 2.144 132 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 132 D C 2.370 178.681 176.300 0.019 0.000 0.984 132 D CA 0.488 54.499 54.000 0.018 0.000 0.834 132 D CB -0.019 40.791 40.800 0.017 0.000 0.955 132 D HN 0.122 nan 8.370 nan 0.000 0.465 133 V N 1.629 121.556 119.914 0.021 0.000 2.307 133 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 133 V C 2.727 178.833 176.094 0.020 0.000 1.045 133 V CA 1.058 63.371 62.300 0.023 0.000 1.024 133 V CB -0.557 31.283 31.823 0.027 0.000 0.651 133 V HN 0.167 nan 8.190 nan 0.000 0.449 134 L N -0.294 120.941 121.223 0.019 0.000 2.187 134 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 134 L C 2.554 179.433 176.870 0.015 0.000 1.100 134 L CA 1.583 56.432 54.840 0.016 0.000 0.765 134 L CB -0.524 41.544 42.059 0.016 0.000 0.904 134 L HN 0.443 nan 8.230 nan 0.000 0.437 135 E N -0.388 119.821 120.200 0.016 0.000 2.112 135 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 135 E C 2.012 178.621 176.600 0.016 0.000 0.979 135 E CA 0.720 57.129 56.400 0.015 0.000 0.814 135 E CB 0.149 29.857 29.700 0.014 0.000 0.762 135 E HN 0.527 nan 8.360 nan 0.000 0.460 136 E N 0.718 120.928 120.200 0.018 0.000 2.051 136 E HA -0.100 4.250 4.350 -0.000 0.000 0.189 136 E C 2.217 178.830 176.600 0.021 0.000 0.979 136 E CA 0.327 56.739 56.400 0.020 0.000 0.803 136 E CB 0.036 29.749 29.700 0.021 0.000 0.761 136 E HN 0.150 nan 8.360 nan 0.000 0.451 137 L N 1.468 122.703 121.223 0.020 0.000 2.011 137 L HA -0.244 4.096 4.340 -0.000 0.000 0.225 137 L C -0.425 176.457 176.870 0.020 0.000 1.084 137 L CA 1.880 56.731 54.840 0.019 0.000 0.791 137 L CB -2.001 40.066 42.059 0.013 0.000 0.898 137 L HN 0.231 nan 8.230 nan 0.000 0.440 138 P HA -0.200 nan 4.420 nan 0.000 0.216 138 P C 1.185 178.497 177.300 0.021 0.000 1.150 138 P CA 1.704 64.814 63.100 0.017 0.000 0.843 138 P CB -0.064 31.645 31.700 0.014 0.000 0.787 139 K N -0.314 120.099 120.400 0.022 0.000 2.062 139 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 139 K C 2.176 178.797 176.600 0.035 0.000 1.051 139 K CA 0.909 57.211 56.287 0.025 0.000 0.941 139 K CB -0.718 31.795 32.500 0.022 0.000 0.719 139 K HN -0.015 nan 8.250 nan 0.000 0.440 140 V N 2.204 122.141 119.914 0.038 0.000 2.568 140 V HA -0.222 3.898 4.120 -0.000 0.000 0.253 140 V C 2.099 178.229 176.094 0.060 0.000 1.072 140 V CA 1.496 63.828 62.300 0.052 0.000 1.084 140 V CB -0.495 31.356 31.823 0.046 0.000 0.676 140 V HN 0.272 nan 8.190 nan 0.000 0.469 141 L N -0.902 120.348 121.223 0.045 0.000 2.071 141 L HA -0.065 4.275 4.340 -0.000 0.000 0.201 141 L C 2.585 179.481 176.870 0.044 0.000 1.076 141 L CA 1.288 56.154 54.840 0.043 0.000 0.755 141 L CB -0.508 41.569 42.059 0.030 0.000 0.915 141 L HN 0.238 nan 8.230 nan 0.000 0.445 142 E N 0.249 120.470 120.200 0.036 0.000 2.015 142 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 142 E C 0.700 177.324 176.600 0.040 0.000 0.991 142 E CA 0.797 57.215 56.400 0.031 0.000 0.802 142 E CB -0.019 29.694 29.700 0.022 0.000 0.759 142 E HN 0.135 nan 8.360 nan 0.000 0.447 143 E N 0.973 121.198 120.200 0.042 0.000 2.167 143 E HA 0.218 4.568 4.350 -0.000 0.000 0.284 143 E C -1.255 175.393 176.600 0.081 0.000 1.016 143 E CA -0.238 56.191 56.400 0.047 0.000 0.817 143 E CB 0.383 30.101 29.700 0.029 0.000 1.080 143 E HN 0.021 nan 8.360 nan 0.000 0.397 144 E N 2.008 122.283 120.200 0.125 0.000 7.438 144 E HA -0.079 4.271 4.350 -0.000 0.000 0.230 144 E C -0.242 176.488 176.600 0.218 0.000 0.890 144 E CA 0.845 57.384 56.400 0.232 0.000 1.606 144 E CB -0.731 29.088 29.700 0.200 0.000 0.905 144 E HN 0.647 nan 8.360 nan 0.000 0.266 145 G N 4.221 113.167 108.800 0.244 0.000 3.325 145 G HA2 0.201 4.161 3.960 -0.000 0.000 0.242 145 G HA3 0.201 4.161 3.960 -0.000 0.000 0.242 145 G C 0.295 175.239 174.900 0.073 0.000 1.120 145 G CA -0.290 44.862 45.100 0.087 0.000 1.778 145 G HN 0.385 nan 8.290 nan 0.000 0.610 146 I N 2.451 123.096 120.570 0.125 0.000 2.278 146 I HA 0.127 4.297 4.170 -0.000 0.000 0.296 146 I C 1.233 177.386 176.117 0.059 0.000 1.121 146 I CA 0.010 61.367 61.300 0.096 0.000 1.267 146 I CB -0.043 38.032 38.000 0.124 0.000 1.447 146 I HN 0.183 nan 8.210 nan 0.000 0.509 147 T N 0.087 114.668 114.554 0.045 0.000 3.174 147 T HA 0.187 4.537 4.350 -0.000 0.000 0.269 147 T C 0.453 175.176 174.700 0.038 0.000 1.017 147 T CA -0.415 61.709 62.100 0.040 0.000 0.899 147 T CB -0.239 68.656 68.868 0.045 0.000 1.077 147 T HN 0.487 nan 8.240 nan 0.000 0.552 148 S N 1.538 117.282 115.700 0.074 0.000 2.774 148 S HA 0.692 5.162 4.470 -0.000 0.000 0.297 148 S C -0.290 174.350 174.600 0.065 0.000 1.143 148 S CA -0.994 57.261 58.200 0.092 0.000 1.090 148 S CB 0.784 64.165 63.200 0.301 0.000 1.019 148 S HN 0.368 nan 8.310 nan 0.000 0.482 152 F N 4.432 124.477 119.950 0.159 0.000 2.411 152 F HA 0.504 5.031 4.527 -0.000 0.000 0.355 152 F C 1.412 177.314 175.800 0.171 0.000 1.117 152 F CA -0.558 57.550 58.000 0.181 0.000 1.139 152 F CB 1.560 40.694 39.000 0.223 0.000 1.120 152 F HN 0.441 nan 8.300 nan 0.000 0.493 153 M N 1.927 121.707 119.600 0.301 0.000 2.509 153 M HA 0.247 4.727 4.480 -0.000 0.000 0.250 153 M C 0.746 177.166 176.300 0.199 0.000 1.132 153 M CA 0.287 55.713 55.300 0.209 0.000 1.080 153 M CB -0.009 32.675 32.600 0.141 0.000 1.408 153 M HN 0.636 nan 8.290 nan 0.000 0.484 154 A N -1.273 121.679 122.820 0.221 0.000 2.616 154 A HA 0.617 4.937 4.320 -0.000 0.000 0.253 154 A C -0.778 176.898 177.584 0.154 0.000 1.239 154 A CA -0.469 51.619 52.037 0.085 0.000 0.914 154 A CB 0.345 19.302 19.000 -0.072 0.000 1.454 154 A HN 0.414 nan 8.150 nan 0.000 0.460 155 Y N -1.226 119.168 120.300 0.156 0.000 3.233 155 Y HA -0.146 4.404 4.550 -0.000 0.000 0.201 155 Y C 0.557 176.530 175.900 0.122 0.000 1.486 155 Y CA 0.694 58.876 58.100 0.136 0.000 1.326 155 Y CB -1.967 36.576 38.460 0.140 0.000 1.460 155 Y HN 0.752 nan 8.280 nan 0.000 0.512 156 K N 2.048 122.586 120.400 0.231 0.000 2.561 156 K HA -0.058 4.262 4.320 -0.000 0.000 0.280 156 K C 0.969 177.633 176.600 0.106 0.000 0.975 156 K CA 0.913 57.294 56.287 0.156 0.000 1.024 156 K CB 0.125 32.707 32.500 0.137 0.000 0.883 156 K HN 0.543 nan 8.250 nan 0.000 0.496 157 N N 1.175 119.913 118.700 0.063 0.000 2.714 157 N HA -0.194 4.546 4.740 -0.000 0.000 0.250 157 N C -0.103 175.368 175.510 -0.065 0.000 1.117 157 N CA 1.021 54.073 53.050 0.004 0.000 0.719 157 N CB -1.141 37.348 38.487 0.004 0.000 1.081 157 N HN 0.384 nan 8.380 nan 0.000 0.557 158 V N -3.429 116.429 119.914 -0.093 0.000 3.110 158 V HA 0.238 4.358 4.120 -0.000 0.000 0.233 158 V C 0.711 176.352 176.094 -0.755 0.000 1.550 158 V CA 0.529 62.612 62.300 -0.361 0.000 1.186 158 V CB 0.155 31.838 31.823 -0.234 0.000 1.052 158 V HN 0.179 nan 8.190 nan 0.000 0.452 159 F N -0.904 118.988 119.950 -0.096 0.000 2.801 159 F HA 0.339 4.866 4.527 0.000 0.000 0.381 159 F C 0.981 176.840 175.800 0.098 0.000 0.861 159 F CA -0.416 57.497 58.000 -0.144 0.000 1.039 159 F CB 0.364 38.941 39.000 -0.706 0.000 1.041 159 F HN -0.052 nan 8.300 nan 0.000 0.596 160 Q N 2.007 121.999 119.800 0.320 0.000 2.352 160 Q HA 0.347 4.687 4.340 -0.000 0.000 0.326 160 Q C -0.495 175.634 176.000 0.215 0.000 1.135 160 Q CA 0.525 56.498 55.803 0.284 0.000 1.000 160 Q CB 0.727 29.595 28.738 0.216 0.000 1.237 160 Q HN 0.316 nan 8.270 nan 0.000 0.409 161 A N 3.315 126.257 122.820 0.203 0.000 2.486 161 A HA 0.446 4.766 4.320 -0.000 0.000 0.300 161 A C -1.409 176.251 177.584 0.127 0.000 1.048 161 A CA -0.737 51.393 52.037 0.155 0.000 0.696 161 A CB 1.233 20.332 19.000 0.165 0.000 1.278 161 A HN 0.896 nan 8.150 nan 0.000 0.405 162 D N 0.652 121.113 120.400 0.102 0.000 2.360 162 D HA 0.217 4.857 4.640 -0.000 0.000 0.242 162 D C 0.107 176.462 176.300 0.092 0.000 1.184 162 D CA -0.301 53.751 54.000 0.087 0.000 0.930 162 D CB 0.601 41.443 40.800 0.070 0.000 1.161 162 D HN 0.355 nan 8.370 nan 0.000 0.447 163 D N 0.775 121.223 120.400 0.081 0.000 2.221 163 D HA -0.103 4.537 4.640 -0.000 0.000 0.204 163 D C 2.135 178.509 176.300 0.123 0.000 0.982 163 D CA 1.450 55.505 54.000 0.092 0.000 0.857 163 D CB -0.523 40.315 40.800 0.063 0.000 0.934 163 D HN 0.696 nan 8.370 nan 0.000 0.475 164 G N 0.296 109.155 108.800 0.099 0.000 2.402 164 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 164 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 164 G C 1.729 176.717 174.900 0.146 0.000 1.162 164 G CA 1.281 46.453 45.100 0.119 0.000 0.777 164 G HN 0.223 nan 8.290 nan 0.000 0.539 165 T N 1.131 115.752 114.554 0.112 0.000 2.777 165 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 165 T C 2.233 176.992 174.700 0.099 0.000 1.040 165 T CA 1.133 63.293 62.100 0.100 0.000 1.141 165 T CB -0.228 68.697 68.868 0.095 0.000 0.868 165 T HN 0.126 nan 8.240 nan 0.000 0.444 166 L N 0.408 121.697 121.223 0.110 0.000 2.017 166 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 166 L C 2.137 179.057 176.870 0.084 0.000 1.073 166 L CA 1.719 56.614 54.840 0.092 0.000 0.745 166 L CB -1.012 41.107 42.059 0.100 0.000 0.894 166 L HN 0.313 nan 8.230 nan 0.000 0.432 167 Y N -0.651 119.664 120.300 0.025 0.000 2.097 167 Y HA -0.329 4.221 4.550 -0.000 0.000 0.282 167 Y C 2.692 178.602 175.900 0.016 0.000 1.152 167 Y CA 2.256 60.367 58.100 0.018 0.000 1.136 167 Y CB -0.672 37.798 38.460 0.017 0.000 0.975 167 Y HN 0.295 nan 8.280 nan 0.000 0.498 168 C N -0.136 119.193 119.300 0.048 0.000 2.419 168 C HA -0.149 4.311 4.460 -0.000 0.000 0.281 168 C C 2.613 177.551 174.990 -0.087 0.000 1.336 168 C CA 1.742 60.743 59.018 -0.029 0.000 1.770 168 C CB -1.347 26.437 27.740 0.074 0.000 1.929 168 C HN 0.673 nan 8.230 nan 0.000 0.509 169 T N 1.188 115.710 114.554 -0.053 0.000 2.777 169 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 169 T C 1.731 176.369 174.700 -0.103 0.000 1.040 169 T CA 1.093 63.164 62.100 -0.048 0.000 1.141 169 T CB -0.245 68.617 68.868 -0.009 0.000 0.868 169 T HN 0.458 nan 8.240 nan 0.000 0.444 170 L N 0.499 121.629 121.223 -0.156 0.000 2.042 170 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 170 L C 2.452 179.191 176.870 -0.217 0.000 1.076 170 L CA 1.260 55.988 54.840 -0.188 0.000 0.749 170 L CB -0.625 41.297 42.059 -0.229 0.000 0.893 170 L HN 0.277 nan 8.230 nan 0.000 0.432 171 L N -0.780 120.261 121.223 -0.303 0.000 1.976 171 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 171 L C 2.929 179.726 176.870 -0.121 0.000 1.071 171 L CA 1.251 55.955 54.840 -0.226 0.000 0.746 171 L CB -1.022 40.892 42.059 -0.240 0.000 0.890 171 L HN 0.227 nan 8.230 nan 0.000 0.432 172 A N 0.390 123.152 122.820 -0.097 0.000 1.903 172 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 172 A C 2.552 180.102 177.584 -0.057 0.000 1.191 172 A CA 2.411 54.415 52.037 -0.055 0.000 0.638 172 A CB -0.955 18.022 19.000 -0.037 0.000 0.823 172 A HN 0.459 nan 8.150 nan 0.000 0.451 173 A N -0.414 122.359 122.820 -0.078 0.000 1.865 173 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 173 A C 2.162 179.691 177.584 -0.090 0.000 1.191 173 A CA 2.260 54.243 52.037 -0.090 0.000 0.623 173 A CB -0.571 18.359 19.000 -0.118 0.000 0.826 173 A HN 0.604 nan 8.150 nan 0.000 0.444 174 K N -0.320 120.026 120.400 -0.090 0.000 2.032 174 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 174 K C 2.120 178.703 176.600 -0.028 0.000 1.048 174 K CA 1.882 58.133 56.287 -0.059 0.000 0.927 174 K CB -0.206 32.258 32.500 -0.059 0.000 0.712 174 K HN 0.653 nan 8.250 nan 0.000 0.441 175 E N 0.464 120.645 120.200 -0.033 0.000 2.017 175 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 175 E C 2.061 178.657 176.600 -0.006 0.000 0.997 175 E CA 1.386 57.777 56.400 -0.015 0.000 0.804 175 E CB -0.073 29.615 29.700 -0.019 0.000 0.757 175 E HN 0.339 nan 8.360 nan 0.000 0.448 176 L N -0.552 120.663 121.223 -0.012 0.000 2.291 176 L HA 0.049 4.389 4.340 -0.000 0.000 0.214 176 L C 1.244 178.118 176.870 0.007 0.000 1.120 176 L CA 0.596 55.435 54.840 -0.002 0.000 0.799 176 L CB -0.170 41.885 42.059 -0.006 0.000 0.925 176 L HN 0.487 nan 8.230 nan 0.000 0.446 177 G N 0.301 109.101 108.800 0.001 0.000 2.467 177 G HA2 0.002 3.962 3.960 -0.000 0.000 0.242 177 G HA3 0.002 3.962 3.960 -0.000 0.000 0.242 177 G C -0.148 174.753 174.900 0.003 0.000 1.127 177 G CA -0.083 45.037 45.100 0.034 0.000 0.924 177 G HN 0.532 nan 8.290 nan 0.000 0.499 178 A N -0.578 122.184 122.820 -0.097 0.000 2.430 178 A HA 0.962 5.282 4.320 -0.000 0.000 0.300 178 A C -0.557 176.818 177.584 -0.349 0.000 1.124 178 A CA -0.793 51.157 52.037 -0.145 0.000 0.766 178 A CB 1.916 20.871 19.000 -0.076 0.000 1.328 178 A HN 1.629 nan 8.150 nan 0.000 0.424 179 L N 1.373 122.385 121.223 -0.352 0.000 2.296 179 L HA 0.627 4.967 4.340 -0.000 0.000 0.286 179 L C -0.722 176.029 176.870 -0.198 0.000 1.023 179 L CA -0.297 54.278 54.840 -0.442 0.000 0.812 179 L CB 1.476 43.235 42.059 -0.500 0.000 1.223 179 L HN 0.400 nan 8.230 nan 0.000 0.421 180 V N 6.645 126.471 119.914 -0.147 0.000 2.461 180 V HA 0.360 4.480 4.120 -0.000 0.000 0.275 180 V C 0.537 176.632 176.094 0.001 0.000 1.047 180 V CA -0.190 62.074 62.300 -0.061 0.000 0.955 180 V CB 0.966 32.758 31.823 -0.051 0.000 0.988 180 V HN 0.797 nan 8.190 nan 0.000 0.471 181 M N 4.909 124.510 119.600 0.003 0.000 2.478 181 M HA 0.695 5.175 4.480 -0.000 0.000 0.327 181 M C -1.005 175.290 176.300 -0.008 0.000 1.187 181 M CA -0.708 54.626 55.300 0.057 0.000 1.022 181 M CB 2.151 34.750 32.600 -0.002 0.000 1.629 181 M HN 0.355 nan 8.290 nan 0.000 0.461 182 V N 0.478 120.381 119.914 -0.018 0.000 2.808 182 V HA 0.218 4.338 4.120 -0.000 0.000 0.308 182 V C -1.319 174.699 176.094 -0.127 0.000 1.099 182 V CA -0.738 61.517 62.300 -0.075 0.000 0.920 182 V CB 2.044 33.853 31.823 -0.024 0.000 1.014 182 V HN 0.863 nan 8.190 nan 0.000 0.425 183 H N 3.669 122.605 119.070 -0.224 0.000 2.787 183 H HA 0.658 5.214 4.556 0.000 0.000 0.275 183 H C 0.322 175.653 175.328 0.004 0.000 1.183 183 H CA -0.049 55.938 56.048 -0.103 0.000 1.290 183 H CB 0.922 30.653 29.762 -0.051 0.000 1.438 183 H HN 0.859 nan 8.280 nan 0.000 0.487 184 A N 5.433 128.183 122.820 -0.117 0.000 2.805 184 A HA 0.249 4.569 4.320 -0.000 0.000 0.301 184 A C -0.226 177.319 177.584 -0.065 0.000 1.557 184 A CA -0.258 51.745 52.037 -0.056 0.000 1.254 184 A CB -0.221 18.736 19.000 -0.072 0.000 1.114 184 A HN 0.872 nan 8.150 nan 0.000 0.553 185 E N 1.303 121.520 120.200 0.029 0.000 2.290 185 E HA 0.101 4.451 4.350 -0.000 0.000 0.274 185 E C -1.027 175.604 176.600 0.050 0.000 0.889 185 E CA -0.781 55.629 56.400 0.017 0.000 0.760 185 E CB 1.394 31.114 29.700 0.033 0.000 1.206 185 E HN 0.605 nan 8.360 nan 0.000 0.419 186 N N 2.464 121.180 118.700 0.028 0.000 2.498 186 N HA -0.015 4.725 4.740 -0.000 0.000 0.277 186 N C 0.913 176.455 175.510 0.053 0.000 1.208 186 N CA 0.292 53.365 53.050 0.038 0.000 1.029 186 N CB 0.614 39.112 38.487 0.019 0.000 1.403 186 N HN 0.786 nan 8.380 nan 0.000 0.500 187 G N 2.736 111.581 108.800 0.075 0.000 2.505 187 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 187 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 187 G C 1.099 176.064 174.900 0.108 0.000 1.145 187 G CA 0.642 45.798 45.100 0.093 0.000 0.761 187 G HN 0.526 nan 8.290 nan 0.000 0.571 188 D N 0.071 120.527 120.400 0.093 0.000 2.123 188 D HA -0.091 4.549 4.640 -0.000 0.000 0.196 188 D C 2.768 179.122 176.300 0.091 0.000 0.992 188 D CA 1.016 55.076 54.000 0.100 0.000 0.833 188 D CB -0.339 40.486 40.800 0.042 0.000 0.954 188 D HN 0.268 nan 8.370 nan 0.000 0.455 189 V N 1.300 121.236 119.914 0.036 0.000 2.346 189 V HA -0.152 3.968 4.120 -0.000 0.000 0.244 189 V C 2.575 178.734 176.094 0.109 0.000 1.037 189 V CA 0.784 63.097 62.300 0.023 0.000 1.029 189 V CB -0.323 31.497 31.823 -0.005 0.000 0.663 189 V HN 0.152 nan 8.190 nan 0.000 0.454 190 I N 0.563 121.193 120.570 0.099 0.000 2.248 190 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 190 I C 2.477 178.695 176.117 0.169 0.000 1.107 190 I CA 2.078 63.447 61.300 0.115 0.000 1.373 190 I CB -0.529 37.526 38.000 0.091 0.000 1.055 190 I HN 0.475 nan 8.210 nan 0.000 0.418 191 D N 0.661 121.178 120.400 0.194 0.000 2.087 191 D HA -0.246 4.394 4.640 -0.000 0.000 0.192 191 D C 2.198 178.641 176.300 0.238 0.000 0.993 191 D CA 1.882 56.011 54.000 0.214 0.000 0.828 191 D CB -0.087 40.854 40.800 0.235 0.000 0.968 191 D HN 0.270 nan 8.370 nan 0.000 0.448 192 Y N 1.140 121.477 120.300 0.060 0.000 2.165 192 Y HA -0.126 4.424 4.550 -0.000 0.000 0.286 192 Y C 2.609 178.549 175.900 0.068 0.000 1.155 192 Y CA 0.675 58.808 58.100 0.054 0.000 1.164 192 Y CB -0.690 37.797 38.460 0.044 0.000 0.978 192 Y HN 0.032 nan 8.280 nan 0.000 0.513 193 L N -1.245 120.127 121.223 0.249 0.000 2.012 193 L HA -0.290 4.050 4.340 -0.000 0.000 0.210 193 L C 2.361 179.350 176.870 0.197 0.000 1.073 193 L CA 1.906 56.857 54.840 0.185 0.000 0.748 193 L CB -1.067 41.083 42.059 0.152 0.000 0.891 193 L HN 0.197 nan 8.230 nan 0.000 0.431 194 T N -0.289 114.396 114.554 0.219 0.000 2.652 194 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 194 T C 1.918 176.715 174.700 0.162 0.000 1.039 194 T CA 1.435 63.699 62.100 0.273 0.000 1.153 194 T CB -0.089 68.909 68.868 0.216 0.000 0.863 194 T HN 0.277 nan 8.240 nan 0.000 0.428 195 K N 0.845 121.288 120.400 0.072 0.000 2.044 195 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 195 K C 2.432 179.042 176.600 0.017 0.000 1.049 195 K CA 1.340 57.626 56.287 -0.002 0.000 0.927 195 K CB -0.200 32.250 32.500 -0.083 0.000 0.713 195 K HN 0.249 nan 8.250 nan 0.000 0.443 196 K N 0.865 121.293 120.400 0.046 0.000 2.057 196 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 196 K C 2.190 178.820 176.600 0.050 0.000 1.049 196 K CA 1.228 57.543 56.287 0.046 0.000 0.931 196 K CB -0.133 32.410 32.500 0.073 0.000 0.714 196 K HN 0.145 nan 8.250 nan 0.000 0.440 197 A N 1.703 124.582 122.820 0.099 0.000 1.873 197 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 197 A C 2.169 179.775 177.584 0.037 0.000 1.193 197 A CA 1.772 53.855 52.037 0.077 0.000 0.629 197 A CB -0.850 18.291 19.000 0.235 0.000 0.826 197 A HN 0.339 nan 8.150 nan 0.000 0.447 198 L N -0.895 120.384 121.223 0.094 0.000 1.989 198 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 198 L C 3.061 179.924 176.870 -0.013 0.000 1.071 198 L CA 1.216 56.072 54.840 0.026 0.000 0.749 198 L CB -0.713 41.325 42.059 -0.034 0.000 0.890 198 L HN 0.449 nan 8.230 nan 0.000 0.431 199 A N -0.606 122.207 122.820 -0.012 0.000 2.139 199 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 199 A C 1.457 179.029 177.584 -0.021 0.000 1.159 199 A CA 1.928 53.953 52.037 -0.019 0.000 0.662 199 A CB -0.415 18.576 19.000 -0.016 0.000 0.796 199 A HN 0.447 nan 8.150 nan 0.000 0.463 200 D N -1.953 118.429 120.400 -0.030 0.000 2.402 200 D HA 0.318 4.958 4.640 -0.000 0.000 0.216 200 D C 1.286 177.546 176.300 -0.067 0.000 1.128 200 D CA 0.842 54.818 54.000 -0.040 0.000 0.833 200 D CB 0.233 41.010 40.800 -0.039 0.000 0.971 200 D HN 0.532 nan 8.370 nan 0.000 0.503 201 G N 1.539 110.300 108.800 -0.065 0.000 2.179 201 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 201 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 201 G C 0.212 175.033 174.900 -0.131 0.000 0.977 201 G CA -0.395 44.666 45.100 -0.067 0.000 0.641 201 G HN 0.239 nan 8.290 nan 0.000 0.533 202 N N 1.368 119.891 118.700 -0.294 0.000 2.402 202 N HA 0.319 5.059 4.740 -0.000 0.000 0.259 202 N C 1.312 176.637 175.510 -0.309 0.000 1.167 202 N CA 1.011 53.604 53.050 -0.763 0.000 0.949 202 N CB 1.109 38.586 38.487 -1.684 0.000 1.212 202 N HN 0.618 nan 8.380 nan 0.000 0.493 203 T N -3.286 111.278 114.554 0.018 0.000 2.975 203 T HA 0.083 4.433 4.350 -0.000 0.000 0.257 203 T C 0.389 175.374 174.700 0.476 0.000 1.003 203 T CA -0.331 61.989 62.100 0.365 0.000 0.932 203 T CB 0.438 69.428 68.868 0.204 0.000 1.087 203 T HN 0.111 nan 8.240 nan 0.000 0.512 204 D N 3.257 123.896 120.400 0.398 0.000 2.390 204 D HA 0.116 4.756 4.640 -0.000 0.000 0.236 204 D C -1.526 174.926 176.300 0.254 0.000 1.189 204 D CA -1.538 52.669 54.000 0.344 0.000 0.887 204 D CB 0.899 41.869 40.800 0.283 0.000 1.198 204 D HN 0.054 nan 8.370 nan 0.000 0.444 205 P HA -0.138 nan 4.420 nan 0.000 0.217 205 P C 1.645 178.911 177.300 -0.057 0.000 1.148 205 P CA 0.702 63.818 63.100 0.027 0.000 0.834 205 P CB 0.211 31.839 31.700 -0.119 0.000 0.783 206 I N -2.094 118.403 120.570 -0.123 0.000 2.454 206 I HA -0.259 3.911 4.170 -0.000 0.000 0.254 206 I C 1.468 177.339 176.117 -0.410 0.000 1.156 206 I CA 1.397 62.543 61.300 -0.256 0.000 1.433 206 I CB -0.163 37.637 38.000 -0.332 0.000 1.082 206 I HN -0.044 nan 8.210 nan 0.000 0.432 207 Y N -0.563 119.506 120.300 -0.384 0.000 2.574 207 Y HA -0.249 4.301 4.550 0.000 0.000 0.294 207 Y C 2.381 177.771 175.900 -0.850 0.000 1.142 207 Y CA 1.366 59.096 58.100 -0.615 0.000 1.314 207 Y CB -0.605 37.402 38.460 -0.755 0.000 0.991 207 Y HN 0.384 nan 8.280 nan 0.000 0.555 208 H N -0.242 118.432 119.070 -0.661 0.000 2.389 208 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 208 H C 2.109 177.373 175.328 -0.106 0.000 1.081 208 H CA 1.447 57.340 56.048 -0.258 0.000 1.345 208 H CB -0.018 29.746 29.762 0.003 0.000 1.393 208 H HN 0.209 nan 8.280 nan 0.000 0.520 209 A N 0.603 123.266 122.820 -0.261 0.000 1.855 209 A HA 0.031 4.351 4.320 -0.000 0.000 0.213 209 A C 2.464 179.933 177.584 -0.191 0.000 1.195 209 A CA 1.093 52.985 52.037 -0.242 0.000 0.610 209 A CB -0.771 18.143 19.000 -0.143 0.000 0.837 209 A HN 0.433 nan 8.150 nan 0.000 0.444 210 L N -0.705 120.404 121.223 -0.190 0.000 2.191 210 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 210 L C 2.539 179.382 176.870 -0.045 0.000 1.103 210 L CA 1.556 56.326 54.840 -0.117 0.000 0.769 210 L CB -0.804 41.163 42.059 -0.154 0.000 0.908 210 L HN 0.343 nan 8.230 nan 0.000 0.438 211 T N 0.206 114.727 114.554 -0.056 0.000 3.072 211 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 211 T C 0.861 175.575 174.700 0.024 0.000 1.127 211 T CA 0.500 62.624 62.100 0.040 0.000 1.107 211 T CB -0.075 68.868 68.868 0.126 0.000 0.910 211 T HN 0.416 nan 8.240 nan 0.000 0.513 212 R N 1.450 121.919 120.500 -0.052 0.000 2.718 212 R HA 0.316 4.656 4.340 -0.000 0.000 0.266 212 R C -3.304 172.956 176.300 -0.068 0.000 1.776 212 R CA -1.757 54.311 56.100 -0.052 0.000 1.567 212 R CB 0.507 30.757 30.300 -0.083 0.000 1.336 212 R HN 0.104 nan 8.270 nan 0.000 0.619 213 P HA 0.046 nan 4.420 nan 0.000 0.267 213 P C -1.723 175.546 177.300 -0.052 0.000 1.200 213 P CA -0.806 62.273 63.100 -0.035 0.000 0.772 213 P CB 0.870 32.570 31.700 0.000 0.000 0.855 214 P HA -0.174 nan 4.420 nan 0.000 0.221 214 P C 1.040 178.313 177.300 -0.045 0.000 1.145 214 P CA 1.429 64.466 63.100 -0.105 0.000 0.795 214 P CB 0.168 31.769 31.700 -0.165 0.000 0.775 215 E N 0.267 120.464 120.200 -0.005 0.000 2.110 215 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 215 E C 2.141 178.736 176.600 -0.008 0.000 0.988 215 E CA 1.007 57.413 56.400 0.009 0.000 0.804 215 E CB -1.017 28.696 29.700 0.022 0.000 0.745 215 E HN 0.301 nan 8.360 nan 0.000 0.458 216 L N 0.357 121.571 121.223 -0.016 0.000 2.291 216 L HA -0.081 4.259 4.340 -0.000 0.000 0.214 216 L C 2.434 179.285 176.870 -0.032 0.000 1.120 216 L CA 0.944 55.774 54.840 -0.017 0.000 0.799 216 L CB -0.241 41.811 42.059 -0.010 0.000 0.925 216 L HN 0.174 nan 8.230 nan 0.000 0.446 217 E N 0.501 120.666 120.200 -0.058 0.000 2.076 217 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 217 E C 2.209 178.769 176.600 -0.066 0.000 0.979 217 E CA 0.877 57.227 56.400 -0.083 0.000 0.807 217 E CB -0.005 29.615 29.700 -0.134 0.000 0.761 217 E HN 0.401 nan 8.360 nan 0.000 0.454 218 G N 1.477 110.247 108.800 -0.051 0.000 2.421 218 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 218 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 218 G C 1.498 176.385 174.900 -0.022 0.000 1.171 218 G CA 0.721 45.801 45.100 -0.033 0.000 0.775 218 G HN 0.219 nan 8.290 nan 0.000 0.543 219 E N 1.381 121.572 120.200 -0.015 0.000 2.033 219 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 219 E C 2.860 179.455 176.600 -0.008 0.000 1.011 219 E CA 1.525 57.920 56.400 -0.008 0.000 0.815 219 E CB -0.665 29.032 29.700 -0.004 0.000 0.755 219 E HN 0.240 nan 8.360 nan 0.000 0.451 220 A N 0.340 123.155 122.820 -0.009 0.000 1.873 220 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 220 A C 2.533 180.111 177.584 -0.010 0.000 1.193 220 A CA 2.832 54.868 52.037 -0.001 0.000 0.629 220 A CB -1.302 17.699 19.000 0.002 0.000 0.826 220 A HN 0.432 nan 8.150 nan 0.000 0.447 221 T N -0.186 114.350 114.554 -0.030 0.000 2.737 221 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 221 T C 1.892 176.577 174.700 -0.026 0.000 1.040 221 T CA 1.635 63.711 62.100 -0.039 0.000 1.142 221 T CB -0.712 68.121 68.868 -0.058 0.000 0.861 221 T HN 0.646 nan 8.240 nan 0.000 0.456 222 G N 1.490 110.279 108.800 -0.019 0.000 2.421 222 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 222 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 222 G C 1.708 176.606 174.900 -0.002 0.000 1.171 222 G CA 0.357 45.450 45.100 -0.012 0.000 0.775 222 G HN 0.410 nan 8.290 nan 0.000 0.543 223 R N 0.672 121.175 120.500 0.005 0.000 2.080 223 R HA -0.086 4.254 4.340 -0.000 0.000 0.236 223 R C 3.055 179.371 176.300 0.027 0.000 1.137 223 R CA 1.326 57.437 56.100 0.018 0.000 0.943 223 R CB -0.760 29.555 30.300 0.024 0.000 0.846 223 R HN 0.333 nan 8.270 nan 0.000 0.431 224 A N 1.114 123.947 122.820 0.021 0.000 1.903 224 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 224 A C 2.584 180.178 177.584 0.017 0.000 1.191 224 A CA 1.973 54.023 52.037 0.022 0.000 0.638 224 A CB -1.100 17.904 19.000 0.006 0.000 0.823 224 A HN 0.501 nan 8.150 nan 0.000 0.451 225 C N -1.239 118.062 119.300 0.001 0.000 2.442 225 C HA -0.131 4.329 4.460 -0.000 0.000 0.279 225 C C 2.937 177.932 174.990 0.008 0.000 1.237 225 C CA 1.200 60.214 59.018 -0.007 0.000 1.722 225 C CB -1.487 26.238 27.740 -0.024 0.000 2.056 225 C HN 0.705 nan 8.230 nan 0.000 0.469 226 Q N 0.280 120.088 119.800 0.012 0.000 2.077 226 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 226 Q C 2.198 178.230 176.000 0.052 0.000 0.989 226 Q CA 1.522 57.339 55.803 0.022 0.000 0.853 226 Q CB -0.362 28.386 28.738 0.016 0.000 0.907 226 Q HN 0.676 nan 8.270 nan 0.000 0.418 227 L N 0.007 121.275 121.223 0.075 0.000 2.017 227 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 227 L C 2.458 179.407 176.870 0.131 0.000 1.073 227 L CA 1.386 56.318 54.840 0.153 0.000 0.745 227 L CB -0.861 41.304 42.059 0.177 0.000 0.894 227 L HN 0.275 nan 8.230 nan 0.000 0.432 228 T N -0.896 113.694 114.554 0.059 0.000 2.778 228 T HA -0.262 4.088 4.350 -0.000 0.000 0.269 228 T C 1.712 176.426 174.700 0.023 0.000 1.050 228 T CA 1.684 63.795 62.100 0.018 0.000 1.137 228 T CB -0.159 68.711 68.868 0.003 0.000 0.860 228 T HN 0.423 nan 8.240 nan 0.000 0.468 229 E N 0.512 120.733 120.200 0.034 0.000 2.015 229 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 229 E C 2.244 178.878 176.600 0.057 0.000 0.991 229 E CA 0.865 57.282 56.400 0.029 0.000 0.802 229 E CB -0.250 29.461 29.700 0.019 0.000 0.759 229 E HN 0.297 nan 8.360 nan 0.000 0.447 230 L N 1.266 122.549 121.223 0.100 0.000 1.997 230 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 230 L C 2.363 179.348 176.870 0.192 0.000 1.074 230 L CA 2.568 57.501 54.840 0.155 0.000 0.763 230 L CB -0.742 41.447 42.059 0.218 0.000 0.890 230 L HN 0.254 nan 8.230 nan 0.000 0.434 231 A N -1.146 121.780 122.820 0.177 0.000 2.067 231 A HA 0.189 4.509 4.320 -0.000 0.000 0.219 231 A C 1.819 179.390 177.584 -0.022 0.000 1.158 231 A CA 1.010 53.033 52.037 -0.022 0.000 0.661 231 A CB -1.127 17.692 19.000 -0.302 0.000 0.801 231 A HN 1.011 nan 8.150 nan 0.000 0.452 232 G N -0.449 108.356 108.800 0.008 0.000 2.179 232 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 232 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 232 G C 0.543 175.438 174.900 -0.008 0.000 1.010 232 G CA 1.232 46.335 45.100 0.005 0.000 0.736 232 G HN 1.483 nan 8.290 nan 0.000 0.513 233 S N -1.012 114.670 115.700 -0.030 0.000 2.496 233 S HA 0.814 5.284 4.470 -0.000 0.000 0.260 233 S C -0.012 174.580 174.600 -0.014 0.000 1.122 233 S CA 0.154 58.331 58.200 -0.038 0.000 1.019 233 S CB 1.117 64.263 63.200 -0.090 0.000 1.226 233 S HN 0.992 nan 8.310 nan 0.000 0.502 234 Q N 0.455 120.224 119.800 -0.053 0.000 2.353 234 Q HA 0.711 5.051 4.340 -0.000 0.000 0.268 234 Q C -1.634 174.368 176.000 0.003 0.000 1.045 234 Q CA -0.828 54.974 55.803 -0.002 0.000 0.811 234 Q CB 1.676 30.377 28.738 -0.062 0.000 1.305 234 Q HN 0.556 nan 8.270 nan 0.000 0.447 235 L N 2.525 123.808 121.223 0.100 0.000 2.333 235 L HA 0.623 4.963 4.340 -0.000 0.000 0.269 235 L C -1.758 175.277 176.870 0.275 0.000 1.010 235 L CA -0.884 54.024 54.840 0.113 0.000 0.818 235 L CB 1.900 43.987 42.059 0.048 0.000 1.306 235 L HN 0.694 nan 8.230 nan 0.000 0.430 236 Y N 3.657 123.999 120.300 0.070 0.000 2.359 236 Y HA 0.515 5.065 4.550 -0.000 0.000 0.336 236 Y C -1.335 174.578 175.900 0.021 0.000 1.098 236 Y CA -0.928 57.233 58.100 0.103 0.000 1.272 236 Y CB 1.146 39.635 38.460 0.047 0.000 1.112 236 Y HN 0.287 nan 8.280 nan 0.000 0.481 237 V N 7.189 127.012 119.914 -0.152 0.000 2.439 237 V HA 0.213 4.333 4.120 -0.000 0.000 0.271 237 V C 0.506 176.420 176.094 -0.300 0.000 1.040 237 V CA -0.302 61.892 62.300 -0.177 0.000 1.002 237 V CB 0.238 31.964 31.823 -0.163 0.000 1.000 237 V HN 0.613 nan 8.190 nan 0.000 0.477 238 V N 3.228 122.994 119.914 -0.248 0.000 2.881 238 V HA 0.419 4.539 4.120 -0.000 0.000 0.303 238 V C 0.572 176.354 176.094 -0.519 0.000 1.070 238 V CA -0.546 61.570 62.300 -0.307 0.000 1.074 238 V CB 0.272 31.864 31.823 -0.385 0.000 1.012 238 V HN 1.296 nan 8.190 nan 0.000 0.482 239 H N 0.549 119.666 119.070 0.078 0.000 2.252 239 H HA -0.119 4.437 4.556 -0.000 0.000 0.314 239 H C -0.509 174.654 175.328 -0.274 0.000 0.918 239 H CA 0.351 56.368 56.048 -0.052 0.000 1.042 239 H CB -2.617 27.163 29.762 0.031 0.000 1.604 239 H HN 0.698 nan 8.280 nan 0.000 0.331 240 V N 2.673 122.514 119.914 -0.122 0.000 2.508 240 V HA 0.095 4.215 4.120 -0.000 0.000 0.281 240 V C 1.297 177.206 176.094 -0.309 0.000 1.041 240 V CA 0.759 62.946 62.300 -0.188 0.000 1.016 240 V CB 1.316 33.046 31.823 -0.156 0.000 0.984 240 V HN 0.942 nan 8.190 nan 0.000 0.478 241 T N 2.954 117.274 114.554 -0.389 0.000 3.151 241 T HA 0.078 4.428 4.350 -0.000 0.000 0.239 241 T C 0.756 175.239 174.700 -0.362 0.000 0.979 241 T CA 0.741 62.532 62.100 -0.514 0.000 1.194 241 T CB 0.372 68.824 68.868 -0.695 0.000 0.982 241 T HN 0.876 nan 8.240 nan 0.000 0.428 242 C N 1.357 120.444 119.300 -0.354 0.000 2.345 242 C HA 0.933 5.393 4.460 -0.000 0.000 0.369 242 C C 2.240 177.181 174.990 -0.082 0.000 1.273 242 C CA -0.615 58.168 59.018 -0.391 0.000 2.310 242 C CB 0.417 27.891 27.740 -0.444 0.000 2.219 242 C HN 0.506 nan 8.230 nan 0.000 0.587 243 A N 0.020 122.941 122.820 0.168 0.000 1.873 243 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 243 A C 2.099 179.726 177.584 0.071 0.000 1.186 243 A CA 1.953 54.052 52.037 0.104 0.000 0.616 243 A CB -1.021 18.047 19.000 0.115 0.000 0.823 243 A HN 0.956 nan 8.150 nan 0.000 0.442 244 Q N 0.131 119.985 119.800 0.091 0.000 2.133 244 Q HA -0.185 4.155 4.340 -0.000 0.000 0.208 244 Q C 2.259 178.259 176.000 0.000 0.000 0.991 244 Q CA 2.210 58.044 55.803 0.053 0.000 0.867 244 Q CB -0.673 28.094 28.738 0.049 0.000 0.911 244 Q HN 0.684 nan 8.270 nan 0.000 0.417 245 A N -0.062 122.735 122.820 -0.038 0.000 1.855 245 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 245 A C 2.349 179.898 177.584 -0.058 0.000 1.191 245 A CA 1.545 53.543 52.037 -0.065 0.000 0.613 245 A CB -0.885 18.050 19.000 -0.109 0.000 0.829 245 A HN 0.223 nan 8.150 nan 0.000 0.442 246 V N 0.350 120.233 119.914 -0.052 0.000 2.324 246 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 246 V C 2.524 178.600 176.094 -0.029 0.000 1.060 246 V CA 2.471 64.744 62.300 -0.044 0.000 1.042 246 V CB -0.861 30.947 31.823 -0.025 0.000 0.650 246 V HN 0.767 nan 8.190 nan 0.000 0.450 247 E N 0.138 120.333 120.200 -0.008 0.000 2.031 247 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 247 E C 2.328 178.917 176.600 -0.019 0.000 0.994 247 E CA 1.261 57.659 56.400 -0.002 0.000 0.800 247 E CB -0.001 29.711 29.700 0.020 0.000 0.752 247 E HN 0.434 nan 8.360 nan 0.000 0.447 248 K N 0.567 120.952 120.400 -0.024 0.000 2.032 248 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 248 K C 2.232 178.802 176.600 -0.050 0.000 1.048 248 K CA 1.215 57.482 56.287 -0.032 0.000 0.927 248 K CB -0.587 31.894 32.500 -0.033 0.000 0.712 248 K HN 0.357 nan 8.250 nan 0.000 0.441 249 I N 0.964 121.496 120.570 -0.062 0.000 2.361 249 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 249 I C 2.414 178.477 176.117 -0.091 0.000 1.133 249 I CA 0.970 62.219 61.300 -0.086 0.000 1.413 249 I CB -0.376 37.566 38.000 -0.097 0.000 1.073 249 I HN 0.060 nan 8.210 nan 0.000 0.424 250 A N 0.728 123.507 122.820 -0.068 0.000 1.873 250 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 250 A C 2.201 179.747 177.584 -0.064 0.000 1.186 250 A CA 1.460 53.459 52.037 -0.064 0.000 0.616 250 A CB -0.497 18.480 19.000 -0.038 0.000 0.823 250 A HN 0.411 nan 8.150 nan 0.000 0.442 251 E N 0.008 120.178 120.200 -0.050 0.000 2.058 251 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 251 E C 2.363 178.927 176.600 -0.059 0.000 0.997 251 E CA 1.026 57.399 56.400 -0.045 0.000 0.801 251 E CB -0.378 29.302 29.700 -0.033 0.000 0.746 251 E HN 0.599 nan 8.360 nan 0.000 0.450 252 A N 1.844 124.623 122.820 -0.069 0.000 1.849 252 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 252 A C 2.103 179.621 177.584 -0.111 0.000 1.202 252 A CA 1.920 53.907 52.037 -0.083 0.000 0.629 252 A CB -0.679 18.265 19.000 -0.094 0.000 0.834 252 A HN 0.118 nan 8.150 nan 0.000 0.447 253 R N -0.543 119.869 120.500 -0.148 0.000 2.200 253 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 253 R C 1.732 177.954 176.300 -0.130 0.000 1.127 253 R CA 1.223 57.212 56.100 -0.185 0.000 0.989 253 R CB -0.387 29.774 30.300 -0.231 0.000 0.869 253 R HN 0.534 nan 8.270 nan 0.000 0.459 254 N N 1.054 119.697 118.700 -0.094 0.000 2.142 254 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 254 N C 1.030 176.503 175.510 -0.061 0.000 1.023 254 N CA 1.168 54.176 53.050 -0.069 0.000 0.852 254 N CB -0.005 38.451 38.487 -0.051 0.000 0.998 254 N HN 0.197 nan 8.380 nan 0.000 0.424 255 K N 0.080 120.443 120.400 -0.060 0.000 2.589 255 K HA 0.082 4.402 4.320 -0.000 0.000 0.192 255 K C 0.826 177.393 176.600 -0.054 0.000 1.029 255 K CA 0.440 56.697 56.287 -0.049 0.000 1.031 255 K CB 0.020 32.495 32.500 -0.041 0.000 0.821 255 K HN 0.272 nan 8.250 nan 0.000 0.502 256 G N 1.391 110.147 108.800 -0.073 0.000 2.179 256 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 256 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 256 G C 0.211 175.060 174.900 -0.084 0.000 0.977 256 G CA -0.117 44.938 45.100 -0.075 0.000 0.641 256 G HN 0.205 nan 8.290 nan 0.000 0.533 257 L N 0.977 122.147 121.223 -0.088 0.000 2.506 257 L HA 0.189 4.529 4.340 -0.000 0.000 0.281 257 L C 0.732 177.518 176.870 -0.139 0.000 1.228 257 L CA 0.023 54.812 54.840 -0.085 0.000 0.850 257 L CB 0.380 42.393 42.059 -0.077 0.000 1.110 257 L HN 0.076 nan 8.230 nan 0.000 0.496 258 D N 2.759 123.105 120.400 -0.091 0.000 2.713 258 D HA 0.206 4.846 4.640 -0.000 0.000 0.229 258 D C -0.717 175.491 176.300 -0.154 0.000 1.136 258 D CA -0.045 53.896 54.000 -0.099 0.000 1.010 258 D CB 0.167 41.030 40.800 0.105 0.000 1.084 258 D HN 0.060 nan 8.370 nan 0.000 0.495 259 V N 2.001 121.689 119.914 -0.377 0.000 2.581 259 V HA 0.538 4.658 4.120 -0.000 0.000 0.303 259 V C -0.394 175.335 176.094 -0.607 0.000 1.041 259 V CA -0.729 61.390 62.300 -0.301 0.000 0.907 259 V CB 1.706 33.414 31.823 -0.191 0.000 0.994 259 V HN 0.247 nan 8.190 nan 0.000 0.442 260 W N 1.184 122.440 121.300 -0.073 0.000 2.950 260 W HA 0.774 5.434 4.660 -0.000 0.000 0.340 260 W C 0.209 176.544 176.519 -0.307 0.000 1.139 260 W CA -0.647 56.614 57.345 -0.139 0.000 1.188 260 W CB 2.112 31.536 29.460 -0.060 0.000 1.426 260 W HN 0.790 nan 8.180 nan 0.000 0.531 261 G N 0.930 109.681 108.800 -0.082 0.000 2.524 261 G HA2 0.626 4.586 3.960 -0.000 0.000 0.310 261 G HA3 0.626 4.586 3.960 -0.000 0.000 0.310 261 G C -1.794 172.950 174.900 -0.261 0.000 1.279 261 G CA -0.559 44.407 45.100 -0.224 0.000 0.974 261 G HN 0.404 nan 8.290 nan 0.000 0.484 262 E N 0.182 120.200 120.200 -0.303 0.000 2.367 262 E HA 0.700 5.050 4.350 -0.000 0.000 0.273 262 E C -1.009 175.547 176.600 -0.074 0.000 0.903 262 E CA -0.495 55.807 56.400 -0.164 0.000 0.764 262 E CB 2.388 31.998 29.700 -0.151 0.000 1.252 262 E HN 0.390 nan 8.360 nan 0.000 0.446 263 T N 0.624 115.168 114.554 -0.016 0.000 2.804 263 T HA 0.573 4.923 4.350 -0.000 0.000 0.290 263 T C -1.021 173.722 174.700 0.072 0.000 1.099 263 T CA -0.431 61.677 62.100 0.012 0.000 1.011 263 T CB 1.196 70.024 68.868 -0.067 0.000 1.291 263 T HN 0.633 nan 8.240 nan 0.000 0.523 264 C N 2.147 121.536 119.300 0.147 0.000 2.797 264 C HA 0.477 4.937 4.460 -0.000 0.000 0.306 264 C C -1.326 173.650 174.990 -0.023 0.000 1.207 264 C CA -1.579 57.476 59.018 0.062 0.000 1.507 264 C CB 1.992 29.762 27.740 0.050 0.000 2.028 264 C HN 0.645 nan 8.230 nan 0.000 0.475 265 P HA -0.300 nan 4.420 nan 0.000 0.217 265 P C 1.519 178.799 177.300 -0.032 0.000 1.162 265 P CA 2.264 65.311 63.100 -0.090 0.000 0.901 265 P CB 0.043 31.670 31.700 -0.121 0.000 0.793 266 Q N -0.214 119.558 119.800 -0.046 0.000 2.217 266 Q HA -0.212 4.128 4.340 -0.000 0.000 0.209 266 Q C 1.908 177.789 176.000 -0.199 0.000 0.988 266 Q CA 1.835 57.563 55.803 -0.125 0.000 0.878 266 Q CB -1.649 26.667 28.738 -0.704 0.000 0.909 266 Q HN 0.427 nan 8.270 nan 0.000 0.424 267 Y N -0.487 119.801 120.300 -0.021 0.000 2.523 267 Y HA 0.067 4.617 4.550 -0.000 0.000 0.279 267 Y C 1.926 177.784 175.900 -0.071 0.000 1.139 267 Y CA -0.090 57.990 58.100 -0.033 0.000 1.296 267 Y CB 0.363 38.775 38.460 -0.079 0.000 1.045 267 Y HN 0.046 nan 8.280 nan 0.000 0.538 268 L N -1.577 119.648 121.223 0.004 0.000 2.298 268 L HA 0.032 4.372 4.340 -0.000 0.000 0.209 268 L C 1.672 178.608 176.870 0.109 0.000 1.084 268 L CA 0.974 55.734 54.840 -0.134 0.000 0.816 268 L CB 0.014 41.827 42.059 -0.411 0.000 0.967 268 L HN 0.010 nan 8.230 nan 0.000 0.460 269 V N -1.685 118.303 119.914 0.122 0.000 3.013 269 V HA 0.151 4.271 4.120 -0.000 0.000 0.238 269 V C 0.986 177.155 176.094 0.124 0.000 1.161 269 V CA 0.011 62.417 62.300 0.176 0.000 1.170 269 V CB 0.450 32.360 31.823 0.145 0.000 0.917 269 V HN -0.004 nan 8.190 nan 0.000 0.478 270 L N 1.108 122.358 121.223 0.046 0.000 2.469 270 L HA 0.532 4.872 4.340 -0.000 0.000 0.253 270 L C -0.336 176.489 176.870 -0.075 0.000 1.143 270 L CA -0.137 54.566 54.840 -0.230 0.000 0.804 270 L CB 0.814 42.640 42.059 -0.388 0.000 1.214 270 L HN 0.505 nan 8.230 nan 0.000 0.476 271 D N -2.872 117.467 120.400 -0.102 0.000 2.677 271 D HA 0.090 4.730 4.640 -0.000 0.000 0.298 271 D C 0.154 176.511 176.300 0.094 0.000 1.250 271 D CA -0.771 53.274 54.000 0.075 0.000 0.888 271 D CB 1.061 41.946 40.800 0.142 0.000 1.397 271 D HN 0.483 nan 8.370 nan 0.000 0.461 272 Q N 0.004 119.849 119.800 0.075 0.000 2.133 272 Q HA -0.279 4.061 4.340 -0.000 0.000 0.208 272 Q C 1.706 177.719 176.000 0.021 0.000 0.991 272 Q CA 2.911 58.733 55.803 0.031 0.000 0.867 272 Q CB -0.261 28.487 28.738 0.017 0.000 0.911 272 Q HN 0.592 nan 8.270 nan 0.000 0.417 273 S N -0.569 115.163 115.700 0.054 0.000 2.374 273 S HA -0.241 4.229 4.470 -0.000 0.000 0.227 273 S C 1.645 176.200 174.600 -0.075 0.000 1.037 273 S CA 1.479 59.669 58.200 -0.017 0.000 1.024 273 S CB -1.086 62.092 63.200 -0.036 0.000 0.861 273 S HN 0.547 nan 8.310 nan 0.000 0.456 274 Y N 1.970 122.106 120.300 -0.274 0.000 2.425 274 Y HA 0.001 4.551 4.550 -0.000 0.000 0.285 274 Y C 2.110 177.812 175.900 -0.329 0.000 1.170 274 Y CA 0.617 58.420 58.100 -0.495 0.000 1.304 274 Y CB -0.637 37.163 38.460 -1.100 0.000 0.972 274 Y HN 0.276 nan 8.280 nan 0.000 0.558 275 L N -0.738 120.445 121.223 -0.065 0.000 2.418 275 L HA -0.091 4.249 4.340 -0.000 0.000 0.218 275 L C 1.735 178.561 176.870 -0.073 0.000 1.125 275 L CA 0.888 55.692 54.840 -0.059 0.000 0.835 275 L CB -0.171 41.836 42.059 -0.086 0.000 0.953 275 L HN 0.284 nan 8.230 nan 0.000 0.454 276 E N 0.233 120.383 120.200 -0.083 0.000 2.216 276 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 276 E C 0.836 177.400 176.600 -0.061 0.000 0.973 276 E CA -0.087 56.268 56.400 -0.075 0.000 0.851 276 E CB 0.259 29.910 29.700 -0.083 0.000 0.804 276 E HN 0.237 nan 8.360 nan 0.000 0.477 277 K N 2.737 123.083 120.400 -0.090 0.000 2.250 277 K HA 0.066 4.386 4.320 -0.000 0.000 0.277 277 K C -2.546 174.031 176.600 -0.038 0.000 1.091 277 K CA -0.491 55.743 56.287 -0.089 0.000 1.046 277 K CB 0.285 32.679 32.500 -0.177 0.000 0.982 277 K HN -0.099 nan 8.250 nan 0.000 0.429 278 P HA 0.149 nan 4.420 nan 0.000 0.383 278 P C -1.188 176.156 177.300 0.074 0.000 1.216 278 P CA -0.566 62.547 63.100 0.022 0.000 1.570 278 P CB 1.250 32.953 31.700 0.005 0.000 3.134 279 N N -0.490 118.271 118.700 0.100 0.000 2.453 279 N HA -0.293 4.447 4.740 -0.000 0.000 0.177 279 N C 0.324 176.001 175.510 0.278 0.000 0.529 279 N CA 2.245 55.389 53.050 0.158 0.000 1.553 279 N CB -1.588 36.993 38.487 0.157 0.000 1.408 279 N HN 0.592 nan 8.380 nan 0.000 0.400 280 F N 2.036 122.060 119.950 0.125 0.000 2.915 280 F HA 0.319 4.846 4.527 -0.000 0.000 0.347 280 F C 1.505 177.442 175.800 0.228 0.000 1.104 280 F CA -0.105 58.000 58.000 0.175 0.000 1.126 280 F CB 0.270 39.375 39.000 0.176 0.000 1.145 280 F HN 0.099 nan 8.300 nan 0.000 0.541 281 E N 0.578 120.830 120.200 0.087 0.000 2.233 281 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 281 E C 2.315 178.730 176.600 -0.307 0.000 1.004 281 E CA 1.246 57.489 56.400 -0.263 0.000 0.819 281 E CB -0.556 29.057 29.700 -0.146 0.000 0.738 281 E HN 0.583 nan 8.360 nan 0.000 0.478 282 G N 1.555 110.245 108.800 -0.183 0.000 2.513 282 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 282 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 282 G C 1.750 176.475 174.900 -0.292 0.000 1.160 282 G CA 1.665 46.683 45.100 -0.136 0.000 0.767 282 G HN 0.423 nan 8.290 nan 0.000 0.571 283 A N 0.611 123.094 122.820 -0.562 0.000 2.093 283 A HA -0.145 4.175 4.320 -0.000 0.000 0.222 283 A C 2.256 179.562 177.584 -0.463 0.000 1.162 283 A CA 2.141 53.836 52.037 -0.570 0.000 0.655 283 A CB -0.397 18.030 19.000 -0.954 0.000 0.805 283 A HN 0.468 nan 8.150 nan 0.000 0.461 284 K N -1.836 118.150 120.400 -0.691 0.000 2.280 284 K HA -0.126 4.194 4.320 -0.000 0.000 0.202 284 K C 0.460 176.511 176.600 -0.915 0.000 1.047 284 K CA 1.376 57.052 56.287 -1.018 0.000 0.942 284 K CB -0.185 31.360 32.500 -1.591 0.000 0.739 284 K HN 0.733 nan 8.250 nan 0.000 0.457 285 Y N -0.181 119.787 120.300 -0.554 0.000 2.607 285 Y HA 0.140 4.690 4.550 -0.000 0.000 0.266 285 Y C 0.144 175.167 175.900 -1.461 0.000 1.178 285 Y CA -0.548 56.879 58.100 -1.123 0.000 1.226 285 Y CB 0.495 38.534 38.460 -0.702 0.000 1.144 285 Y HN -0.304 nan 8.280 nan 0.000 0.528 286 V N 2.442 121.918 119.914 -0.729 0.000 2.427 286 V HA 0.146 4.266 4.120 -0.000 0.000 0.268 286 V C -0.657 175.263 176.094 -0.290 0.000 1.046 286 V CA -0.317 61.655 62.300 -0.546 0.000 0.970 286 V CB -0.921 30.651 31.823 -0.419 0.000 1.001 286 V HN 0.460 nan 8.190 nan 0.000 0.476 287 W N 2.860 124.235 121.300 0.125 0.000 3.153 287 W HA 0.734 5.394 4.660 -0.000 0.000 0.316 287 W C -1.033 175.728 176.519 0.404 0.000 1.255 287 W CA -1.199 56.273 57.345 0.213 0.000 1.192 287 W CB 0.580 30.124 29.460 0.140 0.000 1.400 287 W HN 0.210 nan 8.180 nan 0.000 0.568 288 S N 2.115 118.220 115.700 0.675 0.000 2.482 288 S HA 0.705 5.175 4.470 -0.000 0.000 0.303 288 S C -2.560 172.145 174.600 0.175 0.000 1.091 288 S CA -1.190 57.298 58.200 0.480 0.000 1.057 288 S CB 1.786 65.258 63.200 0.454 0.000 1.031 288 S HN 0.185 nan 8.310 nan 0.000 0.485 289 P HA 0.234 nan 4.420 nan 0.000 0.272 289 P C -2.499 174.961 177.300 0.266 0.000 1.230 289 P CA -1.194 61.887 63.100 -0.032 0.000 0.788 289 P CB -0.238 31.293 31.700 -0.281 0.000 0.949 290 P HA 0.087 nan 4.420 nan 0.000 0.274 290 P C -0.338 177.120 177.300 0.264 0.000 1.237 290 P CA -0.020 63.193 63.100 0.188 0.000 0.793 290 P CB 0.615 32.260 31.700 -0.092 0.000 0.977 291 L N 2.168 123.560 121.223 0.283 0.000 2.485 291 L HA 0.082 4.422 4.340 -0.000 0.000 0.275 291 L C 1.633 178.550 176.870 0.078 0.000 1.207 291 L CA 0.125 55.127 54.840 0.270 0.000 0.855 291 L CB -0.162 41.993 42.059 0.160 0.000 1.114 291 L HN 0.350 nan 8.230 nan 0.000 0.485 292 R N 1.918 122.429 120.500 0.018 0.000 2.730 292 R HA 0.401 4.741 4.340 -0.000 0.000 0.228 292 R C -0.441 175.852 176.300 -0.012 0.000 1.312 292 R CA -0.949 55.081 56.100 -0.118 0.000 1.093 292 R CB 0.235 30.256 30.300 -0.465 0.000 1.583 292 R HN 0.501 nan 8.270 nan 0.000 0.535 293 E N 1.400 121.624 120.200 0.041 0.000 2.360 293 E HA -0.023 4.327 4.350 -0.000 0.000 0.269 293 E C 0.660 177.329 176.600 0.116 0.000 1.022 293 E CA -0.123 56.369 56.400 0.153 0.000 0.887 293 E CB 0.793 30.699 29.700 0.343 0.000 0.990 293 E HN 0.274 nan 8.360 nan 0.000 0.426 294 K N 4.297 124.796 120.400 0.166 0.000 2.184 294 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 294 K C 1.619 178.332 176.600 0.189 0.000 1.048 294 K CA 2.317 58.708 56.287 0.174 0.000 0.931 294 K CB -0.258 32.355 32.500 0.188 0.000 0.718 294 K HN 0.824 nan 8.250 nan 0.000 0.465 295 W N -0.492 120.865 121.300 0.095 0.000 2.421 295 W HA -0.165 4.495 4.660 -0.000 0.000 0.270 295 W C 1.091 177.602 176.519 -0.013 0.000 1.233 295 W CA 0.995 58.351 57.345 0.018 0.000 1.226 295 W CB -0.874 28.549 29.460 -0.062 0.000 1.121 295 W HN 0.177 nan 8.180 nan 0.000 0.579 296 H N 1.237 119.922 119.070 -0.641 0.000 2.423 296 H HA -0.093 4.463 4.556 0.000 0.000 0.297 296 H C 2.167 177.383 175.328 -0.186 0.000 1.075 296 H CA 1.917 57.565 56.048 -0.667 0.000 1.342 296 H CB -0.245 29.078 29.762 -0.732 0.000 1.395 296 H HN 0.369 nan 8.280 nan 0.000 0.530 297 Q N 0.706 120.544 119.800 0.064 0.000 2.173 297 Q HA -0.193 4.147 4.340 -0.000 0.000 0.208 297 Q C 2.081 178.245 176.000 0.273 0.000 0.989 297 Q CA 1.406 57.300 55.803 0.152 0.000 0.872 297 Q CB 0.002 28.883 28.738 0.239 0.000 0.909 297 Q HN 0.593 nan 8.270 nan 0.000 0.420 298 E N -0.264 120.094 120.200 0.262 0.000 2.017 298 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 298 E C 2.117 178.857 176.600 0.233 0.000 0.997 298 E CA 1.513 58.082 56.400 0.282 0.000 0.804 298 E CB 0.008 29.840 29.700 0.219 0.000 0.757 298 E HN 0.146 nan 8.360 nan 0.000 0.448 299 V N 1.887 121.896 119.914 0.157 0.000 2.278 299 V HA -0.325 3.795 4.120 -0.000 0.000 0.251 299 V C 2.427 178.566 176.094 0.074 0.000 1.062 299 V CA 1.705 64.070 62.300 0.109 0.000 1.038 299 V CB -0.682 31.181 31.823 0.068 0.000 0.646 299 V HN 0.300 nan 8.190 nan 0.000 0.447 300 L N -1.823 119.417 121.223 0.028 0.000 1.970 300 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 300 L C 2.519 179.370 176.870 -0.033 0.000 1.071 300 L CA 2.402 57.204 54.840 -0.064 0.000 0.751 300 L CB -0.663 41.292 42.059 -0.173 0.000 0.889 300 L HN 0.380 nan 8.230 nan 0.000 0.432 301 W N 0.543 121.862 121.300 0.031 0.000 2.318 301 W HA -0.227 4.433 4.660 0.000 0.000 0.313 301 W C 2.686 179.220 176.519 0.024 0.000 1.221 301 W CA 1.032 58.394 57.345 0.028 0.000 1.266 301 W CB -0.479 28.998 29.460 0.029 0.000 1.150 301 W HN 0.212 nan 8.180 nan 0.000 0.496 302 N N 0.138 118.993 118.700 0.258 0.000 2.120 302 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 302 N C 1.725 177.297 175.510 0.104 0.000 1.024 302 N CA 1.811 54.954 53.050 0.155 0.000 0.852 302 N CB -0.933 37.625 38.487 0.118 0.000 1.003 302 N HN 0.160 nan 8.380 nan 0.000 0.424 303 A N 1.328 124.193 122.820 0.075 0.000 1.883 303 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 303 A C 2.251 179.856 177.584 0.035 0.000 1.186 303 A CA 1.067 53.123 52.037 0.032 0.000 0.624 303 A CB -0.702 18.297 19.000 -0.002 0.000 0.822 303 A HN 0.141 nan 8.150 nan 0.000 0.444 304 L N -0.245 121.006 121.223 0.046 0.000 2.083 304 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 304 L C 2.390 179.318 176.870 0.097 0.000 1.083 304 L CA 2.430 57.302 54.840 0.055 0.000 0.752 304 L CB -0.619 41.466 42.059 0.043 0.000 0.899 304 L HN 0.549 nan 8.230 nan 0.000 0.433 305 K N -0.875 119.603 120.400 0.131 0.000 2.001 305 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 305 K C 1.796 178.439 176.600 0.071 0.000 1.048 305 K CA 1.585 57.940 56.287 0.113 0.000 0.932 305 K CB -0.089 32.482 32.500 0.119 0.000 0.715 305 K HN 0.305 nan 8.250 nan 0.000 0.437 306 N N -0.921 117.814 118.700 0.058 0.000 2.412 306 N HA 0.008 4.748 4.740 -0.000 0.000 0.184 306 N C 0.498 176.021 175.510 0.022 0.000 1.101 306 N CA 1.025 54.096 53.050 0.035 0.000 0.881 306 N CB 1.087 39.591 38.487 0.028 0.000 0.969 306 N HN 0.536 nan 8.380 nan 0.000 0.459 307 G N 0.969 109.784 108.800 0.026 0.000 2.179 307 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 307 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 307 G C 1.007 175.901 174.900 -0.009 0.000 0.990 307 G CA 0.065 45.175 45.100 0.015 0.000 0.646 307 G HN 0.255 nan 8.290 nan 0.000 0.517 308 Q N -0.137 119.653 119.800 -0.016 0.000 2.124 308 Q HA 0.105 4.445 4.340 -0.000 0.000 0.202 308 Q C 1.508 177.481 176.000 -0.045 0.000 0.977 308 Q CA 1.079 56.856 55.803 -0.042 0.000 0.850 308 Q CB -0.044 28.675 28.738 -0.032 0.000 0.901 308 Q HN 0.648 nan 8.270 nan 0.000 0.429 309 L N 1.936 123.145 121.223 -0.023 0.000 2.334 309 L HA 0.234 4.574 4.340 -0.000 0.000 0.276 309 L C 0.776 177.657 176.870 0.019 0.000 1.014 309 L CA -0.484 54.340 54.840 -0.025 0.000 0.815 309 L CB 1.680 43.708 42.059 -0.052 0.000 1.268 309 L HN 0.052 nan 8.230 nan 0.000 0.428 310 Q N 0.547 120.381 119.800 0.057 0.000 2.140 310 Q HA 0.187 4.527 4.340 -0.000 0.000 0.227 310 Q C -0.098 175.948 176.000 0.077 0.000 0.798 310 Q CA -0.108 55.756 55.803 0.101 0.000 0.987 310 Q CB 1.236 30.111 28.738 0.229 0.000 1.161 310 Q HN 0.695 nan 8.270 nan 0.000 0.480 311 T N -1.493 113.094 114.554 0.055 0.000 2.900 311 T HA 0.666 5.016 4.350 -0.000 0.000 0.303 311 T C -1.246 173.481 174.700 0.046 0.000 1.142 311 T CA -0.847 61.298 62.100 0.074 0.000 1.007 311 T CB 2.025 71.013 68.868 0.200 0.000 1.156 311 T HN 0.085 nan 8.240 nan 0.000 0.490 312 L N 1.985 123.229 121.223 0.034 0.000 2.325 312 L HA 0.838 5.178 4.340 -0.000 0.000 0.281 312 L C 0.122 177.023 176.870 0.053 0.000 1.004 312 L CA 0.089 54.939 54.840 0.016 0.000 0.823 312 L CB 1.152 43.190 42.059 -0.034 0.000 1.236 312 L HN 1.147 nan 8.230 nan 0.000 0.415 313 G N 1.441 110.297 108.800 0.094 0.000 2.511 313 G HA2 0.457 4.417 3.960 -0.000 0.000 0.318 313 G HA3 0.457 4.417 3.960 -0.000 0.000 0.318 313 G C 0.273 175.201 174.900 0.047 0.000 1.210 313 G CA 0.124 45.298 45.100 0.124 0.000 0.969 313 G HN 0.708 nan 8.290 nan 0.000 0.484 314 S N -0.830 114.880 115.700 0.016 0.000 2.427 314 S HA 0.049 4.519 4.470 -0.000 0.000 0.224 314 S C 0.994 175.482 174.600 -0.186 0.000 1.047 314 S CA 1.300 59.461 58.200 -0.064 0.000 0.953 314 S CB -0.035 63.141 63.200 -0.040 0.000 0.824 314 S HN 0.827 nan 8.310 nan 0.000 0.502 315 D N 0.616 120.852 120.400 -0.274 0.000 2.835 315 D HA -0.164 4.476 4.640 -0.000 0.000 0.230 315 D C -0.221 175.995 176.300 -0.140 0.000 1.130 315 D CA 0.912 54.589 54.000 -0.538 0.000 0.738 315 D CB -1.795 38.651 40.800 -0.591 0.000 1.090 315 D HN 0.691 nan 8.370 nan 0.000 0.433 316 Q N 0.513 120.272 119.800 -0.069 0.000 2.262 316 Q HA 0.231 4.571 4.340 -0.000 0.000 0.298 316 Q C -0.734 175.279 176.000 0.022 0.000 1.083 316 Q CA 0.480 56.250 55.803 -0.054 0.000 0.962 316 Q CB 0.527 29.229 28.738 -0.061 0.000 1.104 316 Q HN 0.391 nan 8.270 nan 0.000 0.376 317 C N 5.186 124.453 119.300 -0.055 0.000 3.238 317 C HA 0.395 4.855 4.460 -0.000 0.000 0.308 317 C C -0.608 174.153 174.990 -0.382 0.000 0.971 317 C CA 0.096 59.035 59.018 -0.131 0.000 1.207 317 C CB -0.743 27.021 27.740 0.040 0.000 1.696 317 C HN 0.954 nan 8.230 nan 0.000 0.609 318 S N 1.923 117.364 115.700 -0.432 0.000 2.564 318 S HA 0.790 5.260 4.470 -0.000 0.000 0.278 318 S C -0.912 173.301 174.600 -0.644 0.000 1.333 318 S CA 0.091 58.049 58.200 -0.404 0.000 1.048 318 S CB 0.630 63.669 63.200 -0.268 0.000 0.900 318 S HN 0.530 nan 8.310 nan 0.000 0.505 319 F N 0.039 120.055 119.950 0.110 0.000 2.630 319 F HA 0.295 4.822 4.527 -0.000 0.000 0.325 319 F C -0.273 175.679 175.800 0.253 0.000 1.184 319 F CA -1.145 56.946 58.000 0.152 0.000 1.011 319 F CB 1.411 40.502 39.000 0.153 0.000 1.268 319 F HN 0.490 nan 8.300 nan 0.000 0.480 320 D N 2.939 123.564 120.400 0.376 0.000 2.487 320 D HA -0.085 4.555 4.640 -0.000 0.000 0.243 320 D C 1.116 177.640 176.300 0.374 0.000 1.154 320 D CA 0.412 54.623 54.000 0.351 0.000 0.876 320 D CB 0.535 41.465 40.800 0.217 0.000 1.161 320 D HN 0.486 nan 8.370 nan 0.000 0.478 321 F N 4.348 124.449 119.950 0.251 0.000 2.202 321 F HA -0.197 4.330 4.527 0.000 0.000 0.301 321 F C 1.672 177.521 175.800 0.081 0.000 1.082 321 F CA 1.394 59.409 58.000 0.025 0.000 1.313 321 F CB 0.095 38.964 39.000 -0.218 0.000 1.024 321 F HN 0.234 nan 8.300 nan 0.000 0.495 322 K N 0.006 120.407 120.400 0.003 0.000 1.983 322 K HA -0.094 4.226 4.320 -0.000 0.000 0.225 322 K C 2.352 178.883 176.600 -0.115 0.000 1.030 322 K CA 1.429 57.651 56.287 -0.110 0.000 1.027 322 K CB -1.367 31.142 32.500 0.016 0.000 0.757 322 K HN 0.332 nan 8.250 nan 0.000 0.444 323 G N 0.566 109.352 108.800 -0.022 0.000 2.414 323 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 323 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 323 G C 1.482 176.371 174.900 -0.017 0.000 1.188 323 G CA 0.755 45.841 45.100 -0.024 0.000 0.783 323 G HN 0.288 nan 8.290 nan 0.000 0.537 324 Q N 0.170 119.996 119.800 0.044 0.000 1.921 324 Q HA -0.028 4.312 4.340 -0.000 0.000 0.208 324 Q C 2.721 178.713 176.000 -0.012 0.000 0.994 324 Q CA 1.487 57.311 55.803 0.034 0.000 0.857 324 Q CB -0.136 28.708 28.738 0.175 0.000 0.925 324 Q HN 0.088 nan 8.270 nan 0.000 0.421 325 K N 0.907 121.346 120.400 0.065 0.000 2.144 325 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 325 K C 1.755 178.466 176.600 0.186 0.000 1.047 325 K CA 1.450 57.796 56.287 0.098 0.000 0.927 325 K CB -0.286 32.340 32.500 0.210 0.000 0.716 325 K HN 0.402 nan 8.250 nan 0.000 0.454 326 E N 0.592 120.827 120.200 0.058 0.000 2.409 326 E HA -0.074 4.276 4.350 -0.000 0.000 0.198 326 E C 1.901 178.441 176.600 -0.101 0.000 1.024 326 E CA 0.108 56.467 56.400 -0.067 0.000 0.861 326 E CB -0.129 29.417 29.700 -0.258 0.000 0.788 326 E HN 0.271 nan 8.360 nan 0.000 0.521 327 L N 0.026 121.217 121.223 -0.053 0.000 2.189 327 L HA -0.137 4.203 4.340 -0.000 0.000 0.214 327 L C 1.644 178.483 176.870 -0.053 0.000 1.097 327 L CA 0.938 55.735 54.840 -0.071 0.000 0.764 327 L CB -0.263 41.748 42.059 -0.081 0.000 0.900 327 L HN 0.085 nan 8.230 nan 0.000 0.436 328 G N -0.995 107.820 108.800 0.025 0.000 4.477 328 G HA2 0.214 4.174 3.960 -0.000 0.000 0.319 328 G HA3 0.214 4.174 3.960 -0.000 0.000 0.319 328 G C 0.774 175.755 174.900 0.135 0.000 1.391 328 G CA -0.488 44.654 45.100 0.070 0.000 1.261 328 G HN -0.091 nan 8.290 nan 0.000 0.556 329 R N 1.506 121.942 120.500 -0.106 0.000 2.072 329 R HA 0.009 4.349 4.340 -0.000 0.000 0.221 329 R C 2.401 178.676 176.300 -0.041 0.000 1.166 329 R CA 1.306 57.227 56.100 -0.298 0.000 0.917 329 R CB -1.009 29.067 30.300 -0.374 0.000 0.815 329 R HN 0.336 nan 8.270 nan 0.000 0.444 330 G N 0.601 109.374 108.800 -0.045 0.000 3.210 330 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.220 330 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.220 330 G C -0.475 174.449 174.900 0.039 0.000 1.200 330 G CA 0.017 45.123 45.100 0.011 0.000 0.834 330 G HN 0.183 nan 8.290 nan 0.000 0.524 331 D N -0.432 120.001 120.400 0.055 0.000 2.470 331 D HA 0.101 4.741 4.640 -0.000 0.000 0.233 331 D C 1.086 177.405 176.300 0.032 0.000 1.372 331 D CA -0.839 53.153 54.000 -0.012 0.000 0.994 331 D CB 0.496 41.239 40.800 -0.096 0.000 1.377 331 D HN 0.037 nan 8.370 nan 0.000 0.586 332 F N 1.859 121.878 119.950 0.114 0.000 2.171 332 F HA -0.085 4.442 4.527 0.000 0.000 0.300 332 F C 2.199 178.047 175.800 0.081 0.000 1.090 332 F CA 1.429 59.502 58.000 0.122 0.000 1.293 332 F CB -1.323 37.778 39.000 0.168 0.000 1.013 332 F HN 0.289 nan 8.300 nan 0.000 0.486 333 T N -1.878 112.237 114.554 -0.733 0.000 2.996 333 T HA -0.132 4.218 4.350 -0.000 0.000 0.271 333 T C 1.356 175.962 174.700 -0.156 0.000 1.126 333 T CA 1.304 63.165 62.100 -0.399 0.000 1.103 333 T CB -0.662 67.894 68.868 -0.521 0.000 0.870 333 T HN 0.525 nan 8.240 nan 0.000 0.528 334 K N 0.104 120.429 120.400 -0.126 0.000 2.358 334 K HA 0.367 4.687 4.320 -0.000 0.000 0.197 334 K C 0.028 176.592 176.600 -0.061 0.000 1.025 334 K CA -0.195 56.041 56.287 -0.085 0.000 1.104 334 K CB 0.320 32.772 32.500 -0.081 0.000 0.855 334 K HN 0.462 nan 8.250 nan 0.000 0.531 335 I N 4.387 124.941 120.570 -0.027 0.000 2.396 335 I HA 0.080 4.250 4.170 -0.000 0.000 0.289 335 I C -2.063 173.964 176.117 -0.150 0.000 1.056 335 I CA -2.249 59.026 61.300 -0.042 0.000 1.365 335 I CB 0.619 38.609 38.000 -0.017 0.000 1.407 335 I HN -0.154 nan 8.210 nan 0.000 0.509 336 P HA 0.035 nan 4.420 nan 0.000 0.271 336 P C -0.953 176.197 177.300 -0.250 0.000 1.233 336 P CA 0.006 62.799 63.100 -0.511 0.000 0.764 336 P CB 0.229 31.140 31.700 -1.314 0.000 0.825 337 N N 1.857 120.548 118.700 -0.015 0.000 2.513 337 N HA 0.432 5.172 4.740 -0.000 0.000 0.268 337 N C 0.438 176.226 175.510 0.463 0.000 1.180 337 N CA 0.157 53.327 53.050 0.199 0.000 0.948 337 N CB 0.410 39.044 38.487 0.245 0.000 1.083 337 N HN 0.637 nan 8.380 nan 0.000 0.455 338 G N -0.051 109.068 108.800 0.533 0.000 2.351 338 G HA2 0.340 4.300 3.960 -0.000 0.000 0.472 338 G HA3 0.340 4.300 3.960 -0.000 0.000 0.472 338 G C -1.058 174.149 174.900 0.511 0.000 1.570 338 G CA -0.767 44.623 45.100 0.484 0.000 0.921 338 G HN 0.728 nan 8.290 nan 0.000 0.674 339 G N 0.577 109.543 108.800 0.277 0.000 2.519 339 G HA2 0.871 4.831 3.960 -0.000 0.000 0.307 339 G HA3 0.871 4.831 3.960 -0.000 0.000 0.307 339 G C -2.761 172.081 174.900 -0.097 0.000 1.266 339 G CA -1.487 43.728 45.100 0.191 0.000 0.970 339 G HN 0.546 nan 8.290 nan 0.000 0.481 340 P HA 0.278 nan 4.420 nan 0.000 0.268 340 P C 0.078 177.271 177.300 -0.178 0.000 1.541 340 P CA -0.082 62.868 63.100 -0.249 0.000 1.093 340 P CB 0.518 31.977 31.700 -0.402 0.000 1.551 341 I N 2.491 122.985 120.570 -0.126 0.000 4.592 341 I HA 0.101 4.271 4.170 -0.000 0.000 0.329 341 I C 2.198 178.319 176.117 0.006 0.000 1.309 341 I CA -0.191 61.098 61.300 -0.018 0.000 1.243 341 I CB 0.226 38.173 38.000 -0.089 0.000 1.241 341 I HN 0.129 nan 8.210 nan 0.000 0.434 342 I N 1.744 122.288 120.570 -0.043 0.000 2.597 342 I HA -0.323 3.847 4.170 -0.000 0.000 0.262 342 I C 2.185 178.308 176.117 0.011 0.000 1.194 342 I CA 1.768 63.052 61.300 -0.027 0.000 1.437 342 I CB 0.176 38.141 38.000 -0.058 0.000 1.096 342 I HN 0.354 nan 8.210 nan 0.000 0.451 343 E N -0.008 120.211 120.200 0.032 0.000 2.251 343 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 343 E C 0.918 177.593 176.600 0.125 0.000 0.964 343 E CA 0.583 57.033 56.400 0.083 0.000 0.868 343 E CB 0.248 30.001 29.700 0.088 0.000 0.828 343 E HN 0.513 nan 8.360 nan 0.000 0.481 344 D N 0.316 120.796 120.400 0.135 0.000 2.349 344 D HA -0.005 4.635 4.640 -0.000 0.000 0.214 344 D C 1.531 177.858 176.300 0.045 0.000 1.063 344 D CA -0.099 53.971 54.000 0.116 0.000 0.847 344 D CB 0.192 41.071 40.800 0.131 0.000 0.933 344 D HN 0.121 nan 8.370 nan 0.000 0.513 345 R N 1.328 121.857 120.500 0.050 0.000 2.148 345 R HA -0.184 4.156 4.340 -0.000 0.000 0.230 345 R C 1.960 178.291 176.300 0.051 0.000 1.120 345 R CA 1.825 57.937 56.100 0.019 0.000 0.902 345 R CB -0.480 29.828 30.300 0.014 0.000 0.839 345 R HN -0.081 nan 8.270 nan 0.000 0.431 346 V N 0.747 120.705 119.914 0.074 0.000 2.231 346 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 346 V C 2.466 178.722 176.094 0.269 0.000 1.054 346 V CA 2.341 64.717 62.300 0.126 0.000 1.015 346 V CB -0.782 31.084 31.823 0.072 0.000 0.638 346 V HN 0.480 nan 8.190 nan 0.000 0.444 347 S N 0.054 115.910 115.700 0.259 0.000 2.368 347 S HA -0.234 4.236 4.470 -0.000 0.000 0.226 347 S C 1.878 176.653 174.600 0.292 0.000 1.044 347 S CA 2.195 60.606 58.200 0.353 0.000 1.062 347 S CB -0.551 62.840 63.200 0.318 0.000 0.931 347 S HN 0.516 nan 8.310 nan 0.000 0.440 348 I N 0.786 121.437 120.570 0.136 0.000 2.194 348 I HA -0.213 3.957 4.170 -0.000 0.000 0.246 348 I C 2.353 178.568 176.117 0.162 0.000 1.093 348 I CA 1.021 62.355 61.300 0.055 0.000 1.355 348 I CB -0.356 37.542 38.000 -0.170 0.000 1.046 348 I HN 0.219 nan 8.210 nan 0.000 0.413 349 L N 0.171 121.530 121.223 0.227 0.000 2.093 349 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 349 L C 2.283 179.325 176.870 0.287 0.000 1.085 349 L CA 1.601 56.635 54.840 0.324 0.000 0.755 349 L CB -0.597 41.667 42.059 0.343 0.000 0.904 349 L HN 0.142 nan 8.230 nan 0.000 0.435 350 F N -0.801 119.174 119.950 0.041 0.000 2.075 350 F HA -0.214 4.313 4.527 -0.000 0.000 0.297 350 F C 2.742 178.478 175.800 -0.106 0.000 1.113 350 F CA 1.832 59.583 58.000 -0.416 0.000 1.218 350 F CB -0.776 37.882 39.000 -0.570 0.000 0.984 350 F HN 0.188 nan 8.300 nan 0.000 0.472 351 S N -0.026 115.704 115.700 0.049 0.000 2.349 351 S HA -0.194 4.276 4.470 -0.000 0.000 0.216 351 S C 2.059 176.605 174.600 -0.090 0.000 1.033 351 S CA 1.570 59.761 58.200 -0.014 0.000 1.021 351 S CB -0.574 62.713 63.200 0.144 0.000 0.968 351 S HN 0.451 nan 8.310 nan 0.000 0.426 352 E N 0.502 120.716 120.200 0.024 0.000 2.204 352 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 352 E C 1.817 178.304 176.600 -0.189 0.000 0.990 352 E CA 1.045 57.447 56.400 0.003 0.000 0.821 352 E CB -0.863 28.984 29.700 0.244 0.000 0.750 352 E HN 0.611 nan 8.360 nan 0.000 0.477 353 G N 0.365 109.169 108.800 0.007 0.000 2.682 353 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.221 353 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.221 353 G C 1.689 176.474 174.900 -0.191 0.000 1.386 353 G CA 0.500 45.573 45.100 -0.045 0.000 0.909 353 G HN 0.112 nan 8.290 nan 0.000 0.558 354 V N 1.499 121.272 119.914 -0.234 0.000 2.215 354 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 354 V C 2.853 178.710 176.094 -0.395 0.000 1.054 354 V CA 2.279 64.361 62.300 -0.364 0.000 1.012 354 V CB -0.501 30.910 31.823 -0.686 0.000 0.639 354 V HN 0.196 nan 8.190 nan 0.000 0.448 355 K N 0.057 120.105 120.400 -0.586 0.000 2.293 355 K HA -0.183 4.137 4.320 -0.000 0.000 0.204 355 K C 1.785 178.247 176.600 -0.230 0.000 1.045 355 K CA 1.434 57.488 56.287 -0.388 0.000 0.933 355 K CB -0.306 31.967 32.500 -0.378 0.000 0.736 355 K HN 0.528 nan 8.250 nan 0.000 0.463 356 K N -1.163 119.090 120.400 -0.244 0.000 2.373 356 K HA 0.102 4.422 4.320 -0.000 0.000 0.202 356 K C 0.886 177.362 176.600 -0.205 0.000 1.025 356 K CA 0.481 56.641 56.287 -0.212 0.000 1.115 356 K CB 1.014 33.366 32.500 -0.248 0.000 0.858 356 K HN 0.267 nan 8.250 nan 0.000 0.525 357 G N 1.788 110.476 108.800 -0.186 0.000 2.259 357 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 357 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 357 G C 0.030 174.847 174.900 -0.139 0.000 1.001 357 G CA -0.501 44.514 45.100 -0.142 0.000 0.627 357 G HN 0.223 nan 8.290 nan 0.000 0.501 358 R N 0.264 120.635 120.500 -0.215 0.000 2.528 358 R HA 0.774 5.114 4.340 -0.000 0.000 0.271 358 R C 1.232 177.518 176.300 -0.022 0.000 1.056 358 R CA -0.008 56.005 56.100 -0.145 0.000 1.117 358 R CB 0.610 30.689 30.300 -0.367 0.000 1.085 358 R HN 0.566 nan 8.270 nan 0.000 0.530 359 I N -1.008 119.615 120.570 0.089 0.000 9.107 359 I HA -0.368 3.802 4.170 -0.000 0.000 0.126 359 I C -0.382 175.767 176.117 0.054 0.000 1.831 359 I CA 0.879 62.248 61.300 0.116 0.000 2.089 359 I CB -0.641 37.476 38.000 0.195 0.000 3.893 359 I HN 0.682 nan 8.210 nan 0.000 0.185 360 T N 2.510 117.109 114.554 0.075 0.000 2.916 360 T HA 0.434 4.784 4.350 -0.000 0.000 0.292 360 T C 0.437 175.187 174.700 0.084 0.000 1.064 360 T CA -0.602 61.532 62.100 0.055 0.000 1.011 360 T CB 1.954 70.857 68.868 0.059 0.000 1.152 360 T HN 0.525 nan 8.240 nan 0.000 0.510 361 L N 1.927 123.188 121.223 0.062 0.000 2.127 361 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 361 L C 1.882 178.842 176.870 0.151 0.000 1.089 361 L CA 1.888 56.779 54.840 0.084 0.000 0.757 361 L CB -0.657 41.423 42.059 0.036 0.000 0.899 361 L HN 0.514 nan 8.230 nan 0.000 0.434 362 N N -1.087 117.679 118.700 0.111 0.000 2.207 362 N HA -0.135 4.605 4.740 -0.000 0.000 0.182 362 N C 1.728 177.282 175.510 0.074 0.000 1.020 362 N CA 1.092 54.198 53.050 0.094 0.000 0.858 362 N CB -0.158 38.376 38.487 0.078 0.000 0.991 362 N HN 0.535 nan 8.380 nan 0.000 0.427 363 Q N 0.223 120.074 119.800 0.084 0.000 2.096 363 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 363 Q C 1.871 177.913 176.000 0.070 0.000 0.982 363 Q CA 1.111 56.957 55.803 0.072 0.000 0.850 363 Q CB -0.296 28.496 28.738 0.090 0.000 0.901 363 Q HN 0.308 nan 8.270 nan 0.000 0.422 364 F N 1.164 121.085 119.950 -0.048 0.000 2.043 364 F HA -0.277 4.250 4.527 -0.000 0.000 0.297 364 F C 2.066 177.764 175.800 -0.170 0.000 1.121 364 F CA 1.550 59.491 58.000 -0.098 0.000 1.199 364 F CB -0.638 38.285 39.000 -0.128 0.000 0.968 364 F HN -0.200 nan 8.300 nan 0.000 0.478 365 V N 0.614 120.293 119.914 -0.391 0.000 2.392 365 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 365 V C 2.125 178.037 176.094 -0.304 0.000 1.059 365 V CA 2.311 64.317 62.300 -0.489 0.000 1.051 365 V CB -0.936 30.785 31.823 -0.170 0.000 0.658 365 V HN 0.441 nan 8.190 nan 0.000 0.455 366 D N 0.155 120.459 120.400 -0.160 0.000 2.084 366 D HA -0.135 4.505 4.640 -0.000 0.000 0.196 366 D C 1.932 178.161 176.300 -0.117 0.000 0.985 366 D CA 1.435 55.375 54.000 -0.099 0.000 0.826 366 D CB -0.184 40.592 40.800 -0.041 0.000 0.978 366 D HN 0.430 nan 8.370 nan 0.000 0.456 367 I N -0.279 120.217 120.570 -0.122 0.000 2.454 367 I HA -0.169 4.001 4.170 -0.000 0.000 0.254 367 I C 1.665 177.694 176.117 -0.147 0.000 1.156 367 I CA 0.524 61.767 61.300 -0.095 0.000 1.433 367 I CB 0.096 38.064 38.000 -0.053 0.000 1.082 367 I HN 0.029 nan 8.210 nan 0.000 0.432 368 V N -1.666 118.069 119.914 -0.298 0.000 3.661 368 V HA 0.065 4.185 4.120 -0.000 0.000 0.271 368 V C 1.565 177.517 176.094 -0.235 0.000 1.315 368 V CA 0.846 62.960 62.300 -0.310 0.000 1.072 368 V CB 0.708 32.189 31.823 -0.571 0.000 0.830 368 V HN 0.349 nan 8.190 nan 0.000 0.443 369 S N -0.998 114.575 115.700 -0.212 0.000 4.207 369 S HA -0.008 4.462 4.470 -0.000 0.000 0.177 369 S C 1.879 176.454 174.600 -0.042 0.000 0.981 369 S CA 0.920 59.047 58.200 -0.122 0.000 1.097 369 S CB 0.118 63.233 63.200 -0.143 0.000 1.525 369 S HN 0.375 nan 8.310 nan 0.000 0.686 370 T N 2.959 117.496 114.554 -0.028 0.000 2.536 370 T HA -0.199 4.151 4.350 -0.000 0.000 0.263 370 T C 1.876 176.550 174.700 -0.043 0.000 1.115 370 T CA 2.168 64.282 62.100 0.024 0.000 1.180 370 T CB -0.627 68.245 68.868 0.008 0.000 0.864 370 T HN 0.317 nan 8.240 nan 0.000 0.419 371 R N 0.933 121.385 120.500 -0.079 0.000 2.153 371 R HA -0.078 4.262 4.340 -0.000 0.000 0.252 371 R C 2.267 178.509 176.300 -0.096 0.000 1.158 371 R CA 1.507 57.542 56.100 -0.108 0.000 0.975 371 R CB -0.958 29.309 30.300 -0.054 0.000 0.871 371 R HN 0.573 nan 8.270 nan 0.000 0.450 372 I N -0.488 120.083 120.570 0.001 0.000 2.163 372 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 372 I C 2.330 178.527 176.117 0.133 0.000 1.081 372 I CA 1.265 62.639 61.300 0.123 0.000 1.353 372 I CB -0.542 37.535 38.000 0.128 0.000 1.054 372 I HN 0.298 nan 8.210 nan 0.000 0.407 373 A N 1.058 123.927 122.820 0.081 0.000 1.917 373 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 373 A C 2.324 179.951 177.584 0.071 0.000 1.182 373 A CA 1.852 53.953 52.037 0.106 0.000 0.633 373 A CB -0.516 18.591 19.000 0.179 0.000 0.819 373 A HN 0.353 nan 8.150 nan 0.000 0.448 374 K N -0.525 119.847 120.400 -0.046 0.000 1.984 374 K HA -0.023 4.297 4.320 -0.000 0.000 0.209 374 K C 1.936 178.366 176.600 -0.284 0.000 1.046 374 K CA 1.382 57.551 56.287 -0.196 0.000 0.934 374 K CB -0.519 31.757 32.500 -0.373 0.000 0.717 374 K HN 0.469 nan 8.250 nan 0.000 0.438 375 L N 0.011 120.986 121.223 -0.414 0.000 2.187 375 L HA -0.154 4.186 4.340 -0.000 0.000 0.213 375 L C 1.347 177.789 176.870 -0.715 0.000 1.100 375 L CA 1.181 55.610 54.840 -0.685 0.000 0.765 375 L CB -0.177 41.309 42.059 -0.954 0.000 0.904 375 L HN 0.100 nan 8.230 nan 0.000 0.437 376 F N -0.424 119.434 119.950 -0.152 0.000 2.684 376 F HA 0.333 4.860 4.527 -0.000 0.000 0.298 376 F C 1.420 177.161 175.800 -0.098 0.000 1.120 376 F CA -0.200 57.727 58.000 -0.123 0.000 1.332 376 F CB -0.085 38.818 39.000 -0.161 0.000 0.986 376 F HN 0.025 nan 8.300 nan 0.000 0.524 377 G N 1.420 110.224 108.800 0.006 0.000 2.372 377 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.297 377 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.297 377 G C 0.408 175.306 174.900 -0.003 0.000 1.005 377 G CA 0.443 45.542 45.100 -0.002 0.000 1.173 377 G HN 0.542 nan 8.290 nan 0.000 0.511 378 L N -1.461 119.777 121.223 0.024 0.000 3.086 378 L HA 0.422 4.762 4.340 -0.000 0.000 0.274 378 L C 0.802 177.678 176.870 0.010 0.000 1.184 378 L CA -0.545 54.285 54.840 -0.016 0.000 1.002 378 L CB 0.375 42.413 42.059 -0.034 0.000 1.383 378 L HN 0.330 nan 8.230 nan 0.000 0.582 379 F N 3.450 123.351 119.950 -0.081 0.000 2.394 379 F HA 0.389 4.916 4.527 -0.000 0.000 0.340 379 F C -1.468 174.290 175.800 -0.071 0.000 1.105 379 F CA -1.725 56.230 58.000 -0.075 0.000 1.124 379 F CB 1.168 40.119 39.000 -0.081 0.000 1.145 379 F HN -0.164 nan 8.300 nan 0.000 0.505 380 P HA 0.085 nan 4.420 nan 0.000 0.259 380 P C 0.479 177.442 177.300 -0.563 0.000 1.530 380 P CA 0.109 62.476 63.100 -1.221 0.000 1.022 380 P CB 0.264 31.232 31.700 -1.219 0.000 1.514 381 K N 0.774 120.985 120.400 -0.314 0.000 2.057 381 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 381 K C 0.609 177.092 176.600 -0.195 0.000 1.049 381 K CA 1.049 57.210 56.287 -0.211 0.000 0.931 381 K CB 0.199 32.605 32.500 -0.157 0.000 0.714 381 K HN -0.000 nan 8.250 nan 0.000 0.440 382 K N -1.755 118.537 120.400 -0.180 0.000 2.352 382 K HA 0.303 4.623 4.320 -0.000 0.000 0.240 382 K C 0.349 176.903 176.600 -0.078 0.000 1.017 382 K CA -0.091 56.127 56.287 -0.116 0.000 0.851 382 K CB 1.489 33.940 32.500 -0.082 0.000 1.261 382 K HN 0.257 nan 8.250 nan 0.000 0.451 383 G N -0.125 108.667 108.800 -0.013 0.000 2.176 383 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 383 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 383 G C 0.184 175.156 174.900 0.119 0.000 0.979 383 G CA 0.870 46.020 45.100 0.084 0.000 0.641 383 G HN 0.741 nan 8.290 nan 0.000 0.530 384 T N -0.929 113.635 114.554 0.017 0.000 2.786 384 T HA 0.568 4.918 4.350 -0.000 0.000 0.316 384 T C -1.298 173.406 174.700 0.007 0.000 1.503 384 T CA -0.452 61.679 62.100 0.053 0.000 1.019 384 T CB 1.176 70.111 68.868 0.111 0.000 1.415 384 T HN 0.576 nan 8.240 nan 0.000 0.496 385 I N 3.432 124.035 120.570 0.055 0.000 2.442 385 I HA 0.541 4.711 4.170 -0.000 0.000 0.279 385 I C -0.881 175.275 176.117 0.066 0.000 1.081 385 I CA -0.483 60.847 61.300 0.050 0.000 1.197 385 I CB 0.825 38.869 38.000 0.074 0.000 1.394 385 I HN 0.256 nan 8.210 nan 0.000 0.488 386 V N 4.661 124.583 119.914 0.013 0.000 3.087 386 V HA 0.274 4.394 4.120 -0.000 0.000 0.306 386 V C 0.083 176.167 176.094 -0.018 0.000 1.187 386 V CA -0.991 61.318 62.300 0.014 0.000 0.999 386 V CB 2.362 34.185 31.823 0.000 0.000 1.049 386 V HN 0.141 nan 8.190 nan 0.000 0.431 387 V N 3.145 123.057 119.914 -0.005 0.000 2.583 387 V HA 0.340 4.460 4.120 -0.000 0.000 0.302 387 V C 1.531 177.601 176.094 -0.040 0.000 1.033 387 V CA 2.182 64.473 62.300 -0.015 0.000 1.194 387 V CB -0.356 31.463 31.823 -0.008 0.000 0.879 387 V HN 1.541 nan 8.190 nan 0.000 0.482 388 G N 3.837 112.608 108.800 -0.047 0.000 2.313 388 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 388 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 388 G C 0.398 175.242 174.900 -0.092 0.000 1.023 388 G CA 0.055 45.116 45.100 -0.065 0.000 0.626 388 G HN 0.762 nan 8.290 nan 0.000 0.503 389 S N 1.742 117.375 115.700 -0.111 0.000 2.593 389 S HA 0.477 4.947 4.470 -0.000 0.000 0.269 389 S C -0.010 174.528 174.600 -0.103 0.000 1.334 389 S CA -0.374 57.739 58.200 -0.144 0.000 1.015 389 S CB 0.971 64.066 63.200 -0.174 0.000 0.912 389 S HN 0.384 nan 8.310 nan 0.000 0.541 390 D N 1.396 121.731 120.400 -0.108 0.000 2.449 390 D HA 0.245 4.885 4.640 -0.000 0.000 0.236 390 D C 0.238 176.499 176.300 -0.066 0.000 1.149 390 D CA 0.164 54.115 54.000 -0.081 0.000 0.878 390 D CB 0.360 41.108 40.800 -0.086 0.000 1.198 390 D HN 0.585 nan 8.370 nan 0.000 0.446 391 A N 2.130 124.919 122.820 -0.052 0.000 3.074 391 A HA 0.078 4.398 4.320 -0.000 0.000 0.251 391 A C -0.335 177.213 177.584 -0.060 0.000 1.695 391 A CA -0.305 51.699 52.037 -0.055 0.000 1.343 391 A CB -0.505 18.460 19.000 -0.059 0.000 1.078 391 A HN 0.277 nan 8.150 nan 0.000 0.644 392 D N 1.000 121.370 120.400 -0.050 0.000 2.441 392 D HA 0.502 5.142 4.640 -0.000 0.000 0.221 392 D C -0.157 176.122 176.300 -0.035 0.000 1.156 392 D CA 0.499 54.475 54.000 -0.040 0.000 0.896 392 D CB 0.516 41.295 40.800 -0.034 0.000 1.028 392 D HN 0.408 nan 8.370 nan 0.000 0.509 393 L N 1.056 122.246 121.223 -0.054 0.000 2.301 393 L HA 0.721 5.061 4.340 -0.000 0.000 0.264 393 L C -0.550 176.309 176.870 -0.018 0.000 1.016 393 L CA -1.287 53.531 54.840 -0.035 0.000 0.821 393 L CB 2.075 44.089 42.059 -0.074 0.000 1.346 393 L HN -0.097 nan 8.230 nan 0.000 0.429 394 V N 2.208 122.145 119.914 0.038 0.000 2.524 394 V HA 0.395 4.515 4.120 -0.000 0.000 0.297 394 V C -0.299 175.831 176.094 0.060 0.000 1.035 394 V CA -0.287 62.066 62.300 0.088 0.000 0.867 394 V CB 1.985 33.930 31.823 0.204 0.000 1.004 394 V HN 0.483 nan 8.190 nan 0.000 0.426 395 I N 5.496 126.097 120.570 0.052 0.000 2.291 395 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 395 I C -0.627 175.546 176.117 0.093 0.000 1.064 395 I CA -0.026 61.288 61.300 0.023 0.000 1.269 395 I CB 0.436 38.447 38.000 0.017 0.000 1.418 395 I HN 0.452 nan 8.210 nan 0.000 0.485 396 F N 5.923 125.776 119.950 -0.160 0.000 2.443 396 F HA 0.345 4.872 4.527 -0.000 0.000 0.335 396 F C 0.187 175.894 175.800 -0.156 0.000 1.104 396 F CA -0.604 57.316 58.000 -0.133 0.000 1.013 396 F CB 1.180 40.077 39.000 -0.171 0.000 1.136 396 F HN 0.347 nan 8.300 nan 0.000 0.470 397 D N 7.372 127.406 120.400 -0.610 0.000 2.412 397 D HA 0.252 4.892 4.640 -0.000 0.000 0.224 397 D C -2.006 173.957 176.300 -0.562 0.000 1.093 397 D CA -2.160 51.572 54.000 -0.447 0.000 0.850 397 D CB 1.980 42.586 40.800 -0.323 0.000 1.046 397 D HN 0.271 nan 8.370 nan 0.000 0.507 398 P HA 0.007 nan 4.420 nan 0.000 0.237 398 P C 0.306 177.712 177.300 0.177 0.000 1.178 398 P CA 0.384 63.556 63.100 0.120 0.000 0.766 398 P CB 0.726 32.639 31.700 0.355 0.000 0.876 399 N N -0.257 118.448 118.700 0.008 0.000 2.397 399 N HA 0.119 4.859 4.740 -0.000 0.000 0.190 399 N C 0.969 176.482 175.510 0.005 0.000 1.099 399 N CA -0.154 52.914 53.050 0.029 0.000 0.876 399 N CB 0.219 38.704 38.487 -0.003 0.000 1.143 399 N HN 0.178 nan 8.380 nan 0.000 0.468 400 I N 2.799 123.340 120.570 -0.047 0.000 2.943 400 I HA -0.135 4.035 4.170 -0.000 0.000 0.296 400 I C 0.407 176.525 176.117 0.002 0.000 1.220 400 I CA 0.895 62.172 61.300 -0.039 0.000 1.409 400 I CB 0.040 37.992 38.000 -0.080 0.000 1.374 400 I HN -0.088 nan 8.210 nan 0.000 0.545 401 E N 7.948 128.159 120.200 0.018 0.000 2.231 401 E HA 0.592 4.942 4.350 -0.000 0.000 0.277 401 E C -0.336 176.285 176.600 0.036 0.000 0.999 401 E CA -0.702 55.720 56.400 0.037 0.000 0.827 401 E CB 1.492 31.212 29.700 0.034 0.000 1.101 401 E HN 0.568 nan 8.360 nan 0.000 0.393 402 R N -0.506 120.025 120.500 0.051 0.000 2.829 402 R HA 0.635 4.975 4.340 -0.000 0.000 0.267 402 R C -1.611 174.729 176.300 0.066 0.000 1.051 402 R CA -0.871 55.261 56.100 0.053 0.000 0.927 402 R CB 0.840 31.173 30.300 0.055 0.000 1.292 402 R HN 0.231 nan 8.270 nan 0.000 0.445 403 V N 1.690 121.644 119.914 0.067 0.000 2.531 403 V HA 0.397 4.516 4.120 -0.000 0.000 0.301 403 V C 0.081 176.228 176.094 0.090 0.000 1.034 403 V CA -0.825 61.522 62.300 0.079 0.000 0.865 403 V CB 1.744 33.606 31.823 0.065 0.000 0.995 403 V HN 0.541 nan 8.190 nan 0.000 0.424 404 I N 3.951 124.594 120.570 0.122 0.000 2.598 404 I HA 0.303 4.473 4.170 -0.000 0.000 0.284 404 I C 0.526 176.715 176.117 0.119 0.000 1.140 404 I CA 0.944 62.333 61.300 0.147 0.000 1.420 404 I CB 0.939 39.070 38.000 0.219 0.000 1.387 404 I HN 0.676 nan 8.210 nan 0.000 0.553 405 S N 4.264 120.002 115.700 0.064 0.000 2.536 405 S HA 0.570 5.040 4.470 -0.000 0.000 0.271 405 S C 0.531 175.037 174.600 -0.158 0.000 1.134 405 S CA -0.216 57.978 58.200 -0.010 0.000 0.897 405 S CB 1.793 64.982 63.200 -0.018 0.000 1.094 405 S HN 0.680 nan 8.310 nan 0.000 0.473 406 A N 2.696 125.346 122.820 -0.283 0.000 2.125 406 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 406 A C 1.612 178.854 177.584 -0.570 0.000 1.156 406 A CA 1.839 53.395 52.037 -0.802 0.000 0.671 406 A CB -0.679 18.040 19.000 -0.468 0.000 0.794 406 A HN 0.868 nan 8.150 nan 0.000 0.459 407 E N -0.677 119.364 120.200 -0.264 0.000 2.418 407 E HA -0.057 4.293 4.350 -0.000 0.000 0.197 407 E C 1.414 177.909 176.600 -0.175 0.000 1.026 407 E CA 1.629 57.928 56.400 -0.168 0.000 0.862 407 E CB -0.007 29.639 29.700 -0.090 0.000 0.799 407 E HN 0.557 nan 8.360 nan 0.000 0.518 408 T N -1.659 112.776 114.554 -0.199 0.000 2.989 408 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 408 T C 0.330 174.871 174.700 -0.264 0.000 0.981 408 T CA 0.055 62.039 62.100 -0.193 0.000 0.980 408 T CB -0.307 68.508 68.868 -0.089 0.000 1.133 408 T HN 0.442 nan 8.240 nan 0.000 0.489 409 H N 1.217 120.179 119.070 -0.181 0.000 2.983 409 H HA 0.069 4.625 4.556 -0.000 0.000 0.361 409 H C -0.095 175.046 175.328 -0.313 0.000 1.145 409 H CA -0.012 55.957 56.048 -0.131 0.000 1.404 409 H CB 0.373 30.125 29.762 -0.016 0.000 1.356 409 H HN 0.193 nan 8.280 nan 0.000 0.612 410 H N 1.393 120.425 119.070 -0.064 0.000 2.487 410 H HA 0.260 4.816 4.556 -0.000 0.000 0.290 410 H C -0.091 175.115 175.328 -0.203 0.000 1.081 410 H CA -0.328 55.610 56.048 -0.183 0.000 1.116 410 H CB -0.108 29.414 29.762 -0.399 0.000 1.560 410 H HN 0.461 nan 8.280 nan 0.000 0.548 411 M N -0.131 119.274 119.600 -0.324 0.000 2.342 411 M HA 0.397 4.877 4.480 -0.000 0.000 0.332 411 M C 1.054 177.197 176.300 -0.261 0.000 1.166 411 M CA -0.613 54.459 55.300 -0.381 0.000 1.086 411 M CB 1.535 33.766 32.600 -0.616 0.000 1.541 411 M HN 0.209 nan 8.290 nan 0.000 0.462 412 A N 1.904 124.637 122.820 -0.146 0.000 2.261 412 A HA 0.273 4.593 4.320 -0.000 0.000 0.208 412 A C 0.419 177.998 177.584 -0.008 0.000 1.223 412 A CA -0.156 51.850 52.037 -0.051 0.000 0.833 412 A CB -1.025 17.951 19.000 -0.041 0.000 0.830 412 A HN 0.617 nan 8.150 nan 0.000 0.483 413 V N -1.052 118.835 119.914 -0.045 0.000 2.686 413 V HA 0.270 4.390 4.120 -0.000 0.000 0.295 413 V C 0.768 176.970 176.094 0.181 0.000 1.057 413 V CA -0.165 62.154 62.300 0.032 0.000 1.012 413 V CB 1.043 32.790 31.823 -0.126 0.000 1.006 413 V HN 0.545 nan 8.190 nan 0.000 0.477 414 D N 0.437 120.970 120.400 0.221 0.000 2.363 414 D HA 0.071 4.711 4.640 -0.000 0.000 0.226 414 D C 0.115 176.590 176.300 0.292 0.000 1.020 414 D CA 0.525 54.668 54.000 0.238 0.000 0.892 414 D CB -0.324 40.622 40.800 0.242 0.000 0.900 414 D HN 0.793 nan 8.370 nan 0.000 0.531 415 Y N -2.350 118.039 120.300 0.149 0.000 2.705 415 Y HA 0.593 5.143 4.550 -0.000 0.000 0.332 415 Y C -1.877 174.117 175.900 0.157 0.000 1.221 415 Y CA -1.763 56.378 58.100 0.069 0.000 1.059 415 Y CB 0.908 39.360 38.460 -0.014 0.000 1.298 415 Y HN -0.170 nan 8.280 nan 0.000 0.459 416 N N 0.659 119.364 118.700 0.007 0.000 2.480 416 N HA 0.383 5.123 4.740 -0.000 0.000 0.289 416 N C 0.073 175.597 175.510 0.023 0.000 1.073 416 N CA 0.208 53.240 53.050 -0.031 0.000 0.885 416 N CB 2.322 40.899 38.487 0.150 0.000 1.421 416 N HN 1.103 nan 8.380 nan 0.000 0.503 417 A N 2.912 125.628 122.820 -0.173 0.000 2.139 417 A HA -0.087 4.233 4.320 -0.000 0.000 0.221 417 A C 0.411 177.845 177.584 -0.250 0.000 1.159 417 A CA 1.237 53.159 52.037 -0.191 0.000 0.662 417 A CB -0.556 18.219 19.000 -0.374 0.000 0.796 417 A HN 0.545 nan 8.150 nan 0.000 0.463 418 F N -0.304 119.781 119.950 0.225 0.000 2.850 418 F HA 0.339 4.866 4.527 -0.000 0.000 0.306 418 F C 0.419 176.324 175.800 0.175 0.000 1.162 418 F CA -1.270 56.845 58.000 0.192 0.000 1.327 418 F CB -0.229 38.852 39.000 0.135 0.000 0.953 418 F HN 0.074 nan 8.300 nan 0.000 0.507 419 E N 0.925 121.290 120.200 0.275 0.000 2.558 419 E HA 0.325 4.675 4.350 -0.000 0.000 0.255 419 E C 1.424 178.138 176.600 0.190 0.000 0.968 419 E CA 1.126 57.643 56.400 0.195 0.000 0.939 419 E CB 0.270 30.061 29.700 0.153 0.000 0.921 419 E HN 0.556 nan 8.360 nan 0.000 0.477 420 G N 3.853 112.740 108.800 0.146 0.000 2.205 420 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.261 420 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.261 420 G C 0.456 175.440 174.900 0.139 0.000 0.980 420 G CA 0.308 45.483 45.100 0.124 0.000 0.632 420 G HN 0.619 nan 8.290 nan 0.000 0.533 421 M N 1.578 121.289 119.600 0.186 0.000 2.238 421 M HA 0.368 4.848 4.480 -0.000 0.000 0.350 421 M C 0.715 177.093 176.300 0.129 0.000 1.321 421 M CA 0.005 55.412 55.300 0.177 0.000 1.097 421 M CB 0.431 33.169 32.600 0.231 0.000 1.713 421 M HN 0.186 nan 8.290 nan 0.000 0.455 422 K N 4.730 125.193 120.400 0.104 0.000 2.276 422 K HA 0.475 4.795 4.320 -0.000 0.000 0.283 422 K C -1.834 174.816 176.600 0.083 0.000 1.044 422 K CA -0.478 55.860 56.287 0.084 0.000 0.944 422 K CB 0.824 33.364 32.500 0.067 0.000 1.012 422 K HN 0.632 nan 8.250 nan 0.000 0.472 423 V N 2.833 122.800 119.914 0.088 0.000 2.841 423 V HA 0.262 4.382 4.120 -0.000 0.000 0.310 423 V C -0.634 175.530 176.094 0.117 0.000 1.090 423 V CA -0.881 61.482 62.300 0.104 0.000 0.930 423 V CB 2.338 34.233 31.823 0.121 0.000 1.014 423 V HN 0.867 nan 8.190 nan 0.000 0.425 424 T N 2.834 117.476 114.554 0.148 0.000 2.794 424 T HA 0.739 5.089 4.350 -0.000 0.000 0.280 424 T C 0.128 175.023 174.700 0.325 0.000 0.987 424 T CA 0.392 62.596 62.100 0.175 0.000 0.993 424 T CB 1.225 70.179 68.868 0.143 0.000 0.939 424 T HN 1.638 nan 8.240 nan 0.000 0.449 425 G N 2.185 111.094 108.800 0.181 0.000 2.788 425 G HA2 0.146 4.106 3.960 -0.000 0.000 0.686 425 G HA3 0.146 4.106 3.960 -0.000 0.000 0.686 425 G C -0.981 173.752 174.900 -0.278 0.000 1.147 425 G CA -0.595 44.482 45.100 -0.039 0.000 0.755 425 G HN 0.881 nan 8.290 nan 0.000 0.634 426 E N 2.058 121.684 120.200 -0.957 0.000 2.378 426 E HA 0.556 4.906 4.350 -0.000 0.000 0.283 426 E C -3.042 173.200 176.600 -0.597 0.000 0.979 426 E CA -1.949 54.154 56.400 -0.494 0.000 0.795 426 E CB 2.531 32.138 29.700 -0.154 0.000 1.221 426 E HN 0.356 nan 8.360 nan 0.000 0.428 427 P HA 0.036 nan 4.420 nan 0.000 0.271 427 P C -0.058 177.295 177.300 0.088 0.000 1.220 427 P CA -0.129 63.115 63.100 0.239 0.000 0.768 427 P CB 1.184 33.090 31.700 0.342 0.000 0.848 428 V N 1.435 121.385 119.914 0.059 0.000 2.690 428 V HA 0.089 4.209 4.120 -0.000 0.000 0.240 428 V C 0.648 176.789 176.094 0.078 0.000 1.078 428 V CA 1.200 63.527 62.300 0.045 0.000 1.102 428 V CB 0.089 31.912 31.823 0.000 0.000 0.800 428 V HN 0.430 nan 8.190 nan 0.000 0.479 429 S N -0.200 115.554 115.700 0.091 0.000 2.571 429 S HA 0.679 5.149 4.470 -0.000 0.000 0.284 429 S C -0.918 173.715 174.600 0.056 0.000 1.128 429 S CA -0.318 57.957 58.200 0.125 0.000 0.970 429 S CB 2.386 65.732 63.200 0.243 0.000 1.039 429 S HN 0.015 nan 8.310 nan 0.000 0.485 430 V N 4.972 124.893 119.914 0.013 0.000 2.443 430 V HA 0.523 4.643 4.120 -0.000 0.000 0.293 430 V C -0.610 175.417 176.094 -0.113 0.000 1.021 430 V CA -0.717 61.559 62.300 -0.040 0.000 0.848 430 V CB 1.014 32.818 31.823 -0.032 0.000 0.998 430 V HN 0.779 nan 8.190 nan 0.000 0.424 431 L N 2.534 123.638 121.223 -0.197 0.000 2.365 431 L HA 0.838 5.178 4.340 -0.000 0.000 0.273 431 L C -0.442 176.356 176.870 -0.119 0.000 1.000 431 L CA -0.435 54.251 54.840 -0.257 0.000 0.819 431 L CB 1.820 43.526 42.059 -0.588 0.000 1.284 431 L HN 0.613 nan 8.230 nan 0.000 0.418 432 C N 4.141 123.424 119.300 -0.029 0.000 2.264 432 C HA 0.518 4.978 4.460 -0.000 0.000 0.324 432 C C 0.892 175.967 174.990 0.142 0.000 1.267 432 C CA -0.253 58.813 59.018 0.081 0.000 1.618 432 C CB -0.228 27.634 27.740 0.203 0.000 2.278 432 C HN 1.043 nan 8.230 nan 0.000 0.499 433 R N 4.496 125.027 120.500 0.052 0.000 3.205 433 R HA -0.173 4.167 4.340 -0.000 0.000 0.249 433 R C 1.230 177.563 176.300 0.054 0.000 0.937 433 R CA 0.826 56.954 56.100 0.047 0.000 0.641 433 R CB -1.659 28.675 30.300 0.057 0.000 1.114 433 R HN 1.793 nan 8.270 nan 0.000 0.451 434 G N -0.832 107.952 108.800 -0.027 0.000 2.257 434 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.267 434 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.267 434 G C -0.006 174.844 174.900 -0.085 0.000 0.984 434 G CA 0.943 46.008 45.100 -0.059 0.000 0.626 434 G HN 0.439 nan 8.290 nan 0.000 0.540 435 E N -0.029 120.135 120.200 -0.061 0.000 2.191 435 E HA 0.587 4.937 4.350 -0.000 0.000 0.278 435 E C -0.035 176.453 176.600 -0.187 0.000 0.972 435 E CA -0.988 55.343 56.400 -0.115 0.000 0.804 435 E CB 0.725 30.276 29.700 -0.248 0.000 1.110 435 E HN 0.145 nan 8.360 nan 0.000 0.394 436 F N 1.187 121.027 119.950 -0.184 0.000 2.518 436 F HA -0.029 4.498 4.527 -0.000 0.000 0.359 436 F C 1.646 177.289 175.800 -0.262 0.000 1.118 436 F CA 0.097 57.987 58.000 -0.184 0.000 1.287 436 F CB 0.465 39.364 39.000 -0.169 0.000 1.132 436 F HN 0.211 nan 8.300 nan 0.000 0.587 437 V N 2.164 122.044 119.914 -0.056 0.000 3.455 437 V HA 0.150 4.270 4.120 -0.000 0.000 0.250 437 V C -0.206 175.794 176.094 -0.157 0.000 1.230 437 V CA 0.274 62.501 62.300 -0.122 0.000 1.105 437 V CB 0.812 32.621 31.823 -0.024 0.000 0.850 437 V HN 0.456 nan 8.190 nan 0.000 0.461 438 V N 1.559 121.407 119.914 -0.110 0.000 2.577 438 V HA 0.444 4.564 4.120 -0.000 0.000 0.294 438 V C -0.582 175.523 176.094 0.018 0.000 1.052 438 V CA -0.641 61.543 62.300 -0.193 0.000 0.891 438 V CB 2.089 33.625 31.823 -0.478 0.000 1.017 438 V HN 0.342 nan 8.190 nan 0.000 0.436 439 R N 3.603 124.109 120.500 0.010 0.000 2.445 439 R HA 0.398 4.738 4.340 -0.000 0.000 0.308 439 R C -0.660 175.638 176.300 -0.003 0.000 0.961 439 R CA -0.356 55.758 56.100 0.024 0.000 0.862 439 R CB 1.037 31.157 30.300 -0.299 0.000 1.144 439 R HN 0.812 nan 8.270 nan 0.000 0.447 440 D N 4.621 125.040 120.400 0.031 0.000 2.735 440 D HA -0.177 4.463 4.640 -0.000 0.000 0.235 440 D C -0.491 175.860 176.300 0.086 0.000 1.175 440 D CA 1.259 55.280 54.000 0.035 0.000 0.683 440 D CB -0.397 40.399 40.800 -0.006 0.000 1.008 440 D HN 0.813 nan 8.370 nan 0.000 0.416 441 K N -1.793 118.686 120.400 0.131 0.000 2.960 441 K HA -0.275 4.045 4.320 -0.000 0.000 0.259 441 K C 0.309 177.147 176.600 0.396 0.000 1.025 441 K CA 1.013 57.457 56.287 0.262 0.000 0.756 441 K CB -0.497 32.129 32.500 0.211 0.000 1.221 441 K HN 0.370 nan 8.250 nan 0.000 0.483 442 Q N 0.158 120.124 119.800 0.277 0.000 2.323 442 Q HA 0.288 4.628 4.340 -0.000 0.000 0.271 442 Q C -1.178 174.963 176.000 0.235 0.000 1.048 442 Q CA -0.764 55.231 55.803 0.320 0.000 0.792 442 Q CB 1.338 30.173 28.738 0.162 0.000 1.280 442 Q HN 0.136 nan 8.270 nan 0.000 0.441 443 F N 3.730 123.841 119.950 0.268 0.000 2.538 443 F HA 0.148 4.675 4.527 -0.000 0.000 0.371 443 F C 0.778 176.592 175.800 0.023 0.000 1.087 443 F CA 0.322 58.362 58.000 0.067 0.000 1.250 443 F CB 0.558 39.727 39.000 0.283 0.000 1.110 443 F HN 0.271 nan 8.300 nan 0.000 0.570 444 V N 3.485 122.852 119.914 -0.912 0.000 3.415 444 V HA 0.509 4.629 4.120 -0.000 0.000 0.315 444 V C 0.651 176.220 176.094 -0.876 0.000 1.516 444 V CA 0.363 62.225 62.300 -0.731 0.000 1.122 444 V CB -0.369 31.242 31.823 -0.353 0.000 0.988 444 V HN 0.907 nan 8.190 nan 0.000 0.474 445 G N 0.868 108.771 108.800 -1.495 0.000 2.508 445 G HA2 0.627 4.587 3.960 -0.000 0.000 0.278 445 G HA3 0.627 4.587 3.960 -0.000 0.000 0.278 445 G C -0.651 174.038 174.900 -0.352 0.000 1.389 445 G CA -0.773 43.918 45.100 -0.682 0.000 1.050 445 G HN 0.452 nan 8.290 nan 0.000 0.522 446 K N 1.095 121.519 120.400 0.040 0.000 2.581 446 K HA 0.288 4.608 4.320 -0.000 0.000 0.249 446 K C -2.836 173.915 176.600 0.251 0.000 0.966 446 K CA -1.598 54.788 56.287 0.165 0.000 0.811 446 K CB 3.019 35.565 32.500 0.075 0.000 1.223 446 K HN 0.283 nan 8.250 nan 0.000 0.438 447 P HA -0.067 nan 4.420 nan 0.000 0.263 447 P C 0.539 177.942 177.300 0.171 0.000 1.195 447 P CA 0.967 64.185 63.100 0.197 0.000 0.762 447 P CB 0.780 32.567 31.700 0.146 0.000 0.799 448 G N 2.969 111.876 108.800 0.179 0.000 2.284 448 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.201 448 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.201 448 G C 0.699 175.709 174.900 0.184 0.000 0.998 448 G CA 0.148 45.342 45.100 0.156 0.000 0.651 448 G HN 0.493 nan 8.290 nan 0.000 0.489 449 Y N 2.198 122.561 120.300 0.105 0.000 2.293 449 Y HA 0.327 4.877 4.550 -0.000 0.000 0.291 449 Y C 1.919 177.883 175.900 0.108 0.000 1.137 449 Y CA 1.628 59.781 58.100 0.088 0.000 1.202 449 Y CB -0.400 38.105 38.460 0.075 0.000 0.990 449 Y HN 0.432 nan 8.280 nan 0.000 0.537 450 G N 1.897 110.789 108.800 0.154 0.000 2.398 450 G HA2 0.343 4.303 3.960 -0.000 0.000 0.246 450 G HA3 0.343 4.303 3.960 -0.000 0.000 0.246 450 G C -1.011 173.993 174.900 0.173 0.000 1.289 450 G CA -0.432 44.751 45.100 0.138 0.000 0.869 450 G HN 0.516 nan 8.290 nan 0.000 0.543 451 Q N 1.243 121.055 119.800 0.021 0.000 2.387 451 Q HA 0.424 4.764 4.340 -0.000 0.000 0.273 451 Q C -1.075 174.660 176.000 -0.441 0.000 1.089 451 Q CA -1.145 54.621 55.803 -0.062 0.000 0.824 451 Q CB 1.877 30.528 28.738 -0.145 0.000 1.367 451 Q HN 0.538 nan 8.270 nan 0.000 0.443 452 Y N 1.884 121.780 120.300 -0.673 0.000 2.550 452 Y HA 0.270 4.820 4.550 0.000 0.000 0.343 452 Y C -1.131 174.423 175.900 -0.578 0.000 1.245 452 Y CA 0.190 57.684 58.100 -1.011 0.000 1.462 452 Y CB 0.592 38.799 38.460 -0.421 0.000 1.340 452 Y HN 0.591 nan 8.280 nan 0.000 0.604 453 L N 6.428 126.739 121.223 -1.520 0.000 2.376 453 L HA 0.424 4.764 4.340 -0.000 0.000 0.275 453 L C -0.580 175.641 176.870 -1.082 0.000 0.987 453 L CA -0.950 53.297 54.840 -0.987 0.000 0.828 453 L CB 1.670 43.333 42.059 -0.661 0.000 1.249 453 L HN 0.543 nan 8.230 nan 0.000 0.409 454 K N 3.824 123.897 120.400 -0.545 0.000 2.276 454 K HA 0.477 4.797 4.320 -0.000 0.000 0.283 454 K C -0.509 175.964 176.600 -0.212 0.000 1.044 454 K CA -0.551 55.587 56.287 -0.248 0.000 0.944 454 K CB 1.410 33.882 32.500 -0.047 0.000 1.012 454 K HN 0.521 nan 8.250 nan 0.000 0.472 455 R N 0.959 121.369 120.500 -0.149 0.000 2.668 455 R HA 0.397 4.737 4.340 -0.000 0.000 0.279 455 R C -0.246 176.031 176.300 -0.039 0.000 0.976 455 R CA -0.814 55.224 56.100 -0.103 0.000 0.978 455 R CB 1.529 31.769 30.300 -0.099 0.000 1.133 455 R HN 0.654 nan 8.270 nan 0.000 0.484 456 A N 1.469 124.271 122.820 -0.029 0.000 2.492 456 A HA -0.033 4.287 4.320 -0.000 0.000 0.236 456 A C 0.479 178.076 177.584 0.021 0.000 1.078 456 A CA 0.197 52.229 52.037 -0.009 0.000 0.773 456 A CB 0.143 19.133 19.000 -0.016 0.000 1.023 456 A HN 0.791 nan 8.150 nan 0.000 0.504 457 K N 0.267 120.685 120.400 0.030 0.000 2.706 457 K HA 0.062 4.382 4.320 -0.000 0.000 0.217 457 K C -0.591 176.096 176.600 0.146 0.000 1.019 457 K CA 0.232 56.558 56.287 0.065 0.000 1.181 457 K CB -0.566 31.961 32.500 0.046 0.000 0.940 457 K HN 0.742 nan 8.250 nan 0.000 0.491 458 Y N -2.838 117.423 120.300 -0.064 0.000 4.569 458 Y HA -0.294 4.256 4.550 0.000 0.000 0.237 458 Y C -0.018 175.841 175.900 -0.069 0.000 1.090 458 Y CA 0.773 58.818 58.100 -0.093 0.000 2.052 458 Y CB -1.343 37.067 38.460 -0.084 0.000 1.621 458 Y HN 0.249 nan 8.280 nan 0.000 0.682 459 G N -0.790 107.962 108.800 -0.081 0.000 3.217 459 G HA2 0.525 4.485 3.960 -0.000 0.000 0.213 459 G HA3 0.525 4.485 3.960 -0.000 0.000 0.213 459 G C 0.078 174.925 174.900 -0.089 0.000 1.294 459 G CA 0.014 45.055 45.100 -0.098 0.000 0.987 459 G HN 0.220 nan 8.290 nan 0.000 0.584 460 T N 0.000 114.521 114.554 -0.055 0.000 3.816 460 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 460 T CA 0.000 62.083 62.100 -0.028 0.000 1.349 460 T CB 0.000 68.858 68.868 -0.016 0.000 0.612 460 T HN 0.000 nan 8.240 nan 0.000 0.658